-
3-(2-methylpropyl)-N-{[(2S)-5-oxopyrrolidin-2-yl]methyl}-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide
-
ChemBase ID:
340321
-
Molecular Formular:
C19H24N4O3
-
Molecular Mass:
356.41886
-
Monoisotopic Mass:
356.18484065
-
SMILES and InChIs
SMILES:
c1(C(=O)N(Cc2cnccc2)C[C@H]2NC(=O)CC2)cc(no1)CC(C)C
Canonical SMILES:
CC(Cc1noc(c1)C(=O)N(Cc1cccnc1)C[C@@H]1CCC(=O)N1)C
InChI:
InChI=1S/C19H24N4O3/c1-13(2)8-16-9-17(26-22-16)19(25)23(11-14-4-3-7-20-10-14)12-15-5-6-18(24)21-15/h3-4,7,9-10,13,15H,5-6,8,11-12H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKey:
QFHCNPYYYLUEDG-HNNXBMFYSA-N
-
Cite this record
CBID:340321 http://www.chembase.cn/molecule-340321.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
3-(2-methylpropyl)-N-{[(2S)-5-oxopyrrolidin-2-yl]methyl}-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide
|
|
|
IUPAC Traditional name
|
3-(2-methylpropyl)-N-{[(2S)-5-oxopyrrolidin-2-yl]methyl}-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide
|
|
|
Synonyms
|
3-isobutyl-N-{[(2S)-5-oxopyrrolidin-2-yl]methyl}-N-(pyridin-3-ylmethyl)isoxazole-5-carboxamide
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
13.375919
|
H Acceptors
|
4
|
H Donor
|
1
|
LogD (pH = 5.5)
|
0.86244965
|
LogD (pH = 7.4)
|
0.9337022
|
Log P
|
0.93471205
|
Molar Refractivity
|
97.0321 cm3
|
Polarizability
|
36.701935 Å3
|
Polar Surface Area
|
88.33 Å2
|
Rotatable Bonds
|
7
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
5
|
H Donor
|
1
|
Log P
|
-1.47
|
LOG S
|
-0.55
|
Polar Surface Area
|
88.33 Å2
|
Rotatable Bonds
|
7
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent