(5R)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide

C19H18N4O2 — CID 95307040

IUPAC(5R)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESN#CCCN(Cc1cccnc1)C(=O)C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H18N4O2/c20-9-5-11-23(14-15-6-4-10-21-13-15)19(24)17-12-18(25-22-17)16-7-2-1-3-8-16/h1-4,6-8,10,13,18H,5,11-12,14H2/t18-/m1/s1
InChIKeyCKIXPBRWNVAEJP-GOSISDBHSA-N
MW334.38 g/mol
LogP2.84
Rot. Bonds6

About (5R)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide

(5R)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 95307040) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (5R)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID95307040
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(5R)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESN#CCCN(Cc1cccnc1)C(=O)C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H18N4O2/c20-9-5-11-23(14-15-6-4-10-21-13-15)19(24)17-12-18(25-22-17)16-7-2-1-3-8-16/h1-4,6-8,10,13,18H,5,11-12,14H2/t18-/m1/s1
InChIKeyCKIXPBRWNVAEJP-GOSISDBHSA-N
XLogP2.84
TPSA78.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

(5S)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95293003
(5S)-N,N-bis(cyanomethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95383127
N-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 115496717
N-[(4-cyanophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167917657
2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 134013348
N-(cyanomethyl)-N-cyclopropyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 47462354
2-hydroxyethyl N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)carbamate
CID 79346037
N-(2-cyanoethyl)-4-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-2-carboxamide
CID 71999371
1-[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62095546
3-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61183826
2-[2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 60662590
2-bromo-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 103752639

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of (5R)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 95307040) is (5R)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for (5R)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for (5R)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide is N#CCCN(Cc1cccnc1)C(=O)C1=NO[C@@H](c2ccccc2)C1.
What is the InChIKey of (5R)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is CKIXPBRWNVAEJP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-9-5-11-23(14-15-6-4-10-21-13-15)19(24)17-12-18(25-22-17)16-7-2-1-3-8-16/h1-4,6-8,10,13,18H,5,11-12,14H2/t18-/m1/s1.
What are the key properties of (5R)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
(5R)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95307040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).