5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide

C16H19N3O2 — CID 119427087

IUPAC5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NC1CCCNC1
InChIInChI=1S/C16H19N3O2/c1-11-14(16(20)18-13-8-5-9-17-10-13)15(19-21-11)12-6-3-2-4-7-12/h2-4,6-7,13,17H,5,8-10H2,1H3,(H,18,20)
InChIKeyXRBSWSABPGNMDI-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.13
Rot. Bonds3

About 5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide

5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide (PubChem CID 119427087) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide
PubChem CID119427087
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NC1CCCNC1
InChIInChI=1S/C16H19N3O2/c1-11-14(16(20)18-13-8-5-9-17-10-13)15(19-21-11)12-6-3-2-4-7-12/h2-4,6-7,13,17H,5,8-10H2,1H3,(H,18,20)
InChIKeyXRBSWSABPGNMDI-UHFFFAOYSA-N
XLogP2.13
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 4799748
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-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 119512632
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
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985
N-piperidin-3-ylbenzamide
CID 22017045
N-(azepan-4-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 154841992
5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 45236703
3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide
CID 39128435
N-(3,4-dihydro-2H-chromen-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 119041092
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 167771669
3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119424409

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide (CID 119427087) is 5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NC1CCCNC1.
What is the InChIKey of 5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide?
The InChIKey is XRBSWSABPGNMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-14(16(20)18-13-8-5-9-17-10-13)15(19-21-11)12-6-3-2-4-7-12/h2-4,6-7,13,17H,5,8-10H2,1H3,(H,18,20).
What are the key properties of 5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 119427087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).