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4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(2-oxoimidazolidin-1-yl)benzamide
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ChemBase ID:
323207
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Molecular Formular:
C20H24N4O4
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Molecular Mass:
384.42896
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Monoisotopic Mass:
384.17975527
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SMILES and InChIs
SMILES:
N1(C(=O)NCC1)c1cc(C(=O)N[C@@H]2[C@H](Cc3onc(c3)C)COC2)ccc1C
Canonical SMILES:
O=C1NCCN1c1cc(ccc1C)C(=O)N[C@H]1COC[C@H]1Cc1onc(c1)C
InChI:
InChI=1S/C20H24N4O4/c1-12-3-4-14(9-18(12)24-6-5-21-20(24)26)19(25)22-17-11-27-10-15(17)8-16-7-13(2)23-28-16/h3-4,7,9,15,17H,5-6,8,10-11H2,1-2H3,(H,21,26)(H,22,25)/t15-,17+/m1/s1
InChIKey:
WFINYMMZNQKBCS-WBVHZDCISA-N
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Cite this record
CBID:323207 http://www.chembase.cn/molecule-323207.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(2-oxoimidazolidin-1-yl)benzamide
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IUPAC Traditional name
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4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(2-oxoimidazolidin-1-yl)benzamide
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Synonyms
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4-methyl-N-{(3R*,4S*)-4-[(3-methyl-5-isoxazolyl)methyl]tetrahydro-3-furanyl}-3-(2-oxo-1-imidazolidinyl)benzamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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Acid pKa
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14.873096
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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0.60029185
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LogD (pH = 7.4)
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0.6002973
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Log P
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0.6002974
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Molar Refractivity
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103.4451 cm3
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Polarizability
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38.634342 Å3
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Polar Surface Area
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96.7 Å2
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Rotatable Bonds
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5
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H Acceptors
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5
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H Donor
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2
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Log P
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-0.1
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LOG S
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-3.23
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Polar Surface Area
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96.7 Å2
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent