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4-(2,4-dioxoimidazolidin-1-yl)-N-methyl-N-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}benzamide
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ChemBase ID:
470670
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Molecular Formular:
C17H19N5O4
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Molecular Mass:
357.36386
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Monoisotopic Mass:
357.14370411
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SMILES and InChIs
SMILES:
C1(=O)NC(=O)CN1c1ccc(C(=O)N(Cc2nc(on2)C(C)C)C)cc1
Canonical SMILES:
O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)N(Cc1noc(n1)C(C)C)C
InChI:
InChI=1S/C17H19N5O4/c1-10(2)15-18-13(20-26-15)8-21(3)16(24)11-4-6-12(7-5-11)22-9-14(23)19-17(22)25/h4-7,10H,8-9H2,1-3H3,(H,19,23,25)
InChIKey:
FMGZHRKDMBHMJQ-UHFFFAOYSA-N
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Cite this record
CBID:470670 http://www.chembase.cn/molecule-470670.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-(2,4-dioxoimidazolidin-1-yl)-N-methyl-N-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}benzamide
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IUPAC Traditional name
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4-(2,4-dioxoimidazolidin-1-yl)-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide
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Synonyms
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4-(2,4-dioxo-1-imidazolidinyl)-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide
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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)
Acid pKa
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9.064493
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H Acceptors
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5
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H Donor
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1
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LogD (pH = 5.5)
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1.2575816
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LogD (pH = 7.4)
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1.2484769
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Log P
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1.257699
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Molar Refractivity
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92.9737 cm3
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Polarizability
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34.325314 Å3
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Polar Surface Area
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108.64 Å2
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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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H Acceptors
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6
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H Donor
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1
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Log P
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-0.61
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LOG S
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-2.6
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Polar Surface Area
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108.64 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent