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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

ChemBase ID: 323207
Molecular Formular: C20H24N4O4
Molecular Mass: 384.42896
Monoisotopic Mass: 384.17975527
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

Cite this record

CBID:323207 http://www.chembase.cn/molecule-323207.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(2-oxoimidazolidin-1-yl)benzamide
IUPAC Traditional name
4-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(2-oxoimidazolidin-1-yl)benzamide
Synonyms
4-methyl-N-{(3R*,4S*)-4-[(3-methyl-5-isoxazolyl)methyl]tetrahydro-3-furanyl}-3-(2-oxo-1-imidazolidinyl)benzamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 14.873096  H Acceptors
H Donor LogD (pH = 5.5) 0.60029185 
LogD (pH = 7.4) 0.6002973  Log P 0.6002974 
Molar Refractivity 103.4451 cm3 Polarizability 38.634342 Å3
Polar Surface Area 96.7 Å2
Rotatable Bonds H Acceptors
H Donor Log P -0.1 
LOG S -3.23  Polar Surface Area 96.7 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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