5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide

C22H24N4O2 — CID 45236703

IUPAC5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NC1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C22H24N4O2/c1-16-20(21(25-28-16)17-8-3-2-4-9-17)22(27)24-19-11-7-13-26(15-19)14-18-10-5-6-12-23-18/h2-6,8-10,12,19H,7,11,13-15H2,1H3,(H,24,27)
InChIKeySAXPMALPRJZYOU-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.44
Rot. Bonds5

About 5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide

5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide (PubChem CID 45236703) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide
PubChem CID45236703
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NC1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C22H24N4O2/c1-16-20(21(25-28-16)17-8-3-2-4-9-17)22(27)24-19-11-7-13-26(15-19)14-18-10-5-6-12-23-18/h2-6,8-10,12,19H,7,11,13-15H2,1H3,(H,24,27)
InChIKeySAXPMALPRJZYOU-UHFFFAOYSA-N
XLogP3.44
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]furan-3-carboxamide
CID 45180386
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 45190473
5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide
CID 119427087
tert-butyl N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamate
CID 97174124
5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 4799748
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138383979
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]morpholine-4-carboxamide
CID 175649113
3-(1H-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]benzamide
CID 42595661
3-(1H-pyrazol-4-yl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]benzamide
CID 42595659
3,5-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 124573326
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide
CID 45223884
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide (CID 45236703) is 5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NC1CCCN(Cc2ccccn2)C1.
What is the InChIKey of 5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is SAXPMALPRJZYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-20(21(25-28-16)17-8-3-2-4-9-17)22(27)24-19-11-7-13-26(15-19)14-18-10-5-6-12-23-18/h2-6,8-10,12,19H,7,11,13-15H2,1H3,(H,24,27).
What are the key properties of 5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 45236703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).