1-(2-benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide

C17H18N4O2 — CID 664488

IUPAC1-(2-benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide
SMILESN#Cc1nc(Cc2ccccc2)oc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H18N4O2/c18-11-14-17(21-8-6-13(7-9-21)16(19)22)23-15(20-14)10-12-4-2-1-3-5-12/h1-5,13H,6-10H2,(H2,19,22)
InChIKeyCNXYPSNKHAGEBP-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.84
Rot. Bonds4

About 1-(2-benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide

1-(2-benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide (PubChem CID 664488) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(2-benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide
PubChem CID664488
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-(2-benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide
SMILESN#Cc1nc(Cc2ccccc2)oc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H18N4O2/c18-11-14-17(21-8-6-13(7-9-21)16(19)22)23-15(20-14)10-12-4-2-1-3-5-12/h1-5,13H,6-10H2,(H2,19,22)
InChIKeyCNXYPSNKHAGEBP-UHFFFAOYSA-N
XLogP1.84
TPSA96.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(azepan-1-yl)-2-benzyl-1,3-oxazole-4-carbonitrile
CID 18822883
1-[4-cyano-2-[(4-fluorophenoxy)methyl]-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 1080230
5-(4-benzhydrylpiperazin-1-yl)-2-benzyl-1,3-oxazole-4-carbonitrile
CID 2006085
1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 39313732
1-[4-cyano-2-(2-methylcyclopropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 139582768
1-[2-[(4-chlorophenoxy)methyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxylic acid
CID 22300072
5-(4-benzylpiperidin-1-yl)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 18822814
5-(4-benzylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 1177296
1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)sulfonyl]piperidine-4-carboxamide
CID 139582393
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-hydroxyethyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 86943452
1-[4-cyano-2-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 44616242
N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 46600329

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide (CID 664488) is 1-(2-benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide is N#Cc1nc(Cc2ccccc2)oc1N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(2-benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide?
The InChIKey is CNXYPSNKHAGEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c18-11-14-17(21-8-6-13(7-9-21)16(19)22)23-15(20-14)10-12-4-2-1-3-5-12/h1-5,13H,6-10H2,(H2,19,22).
What are the key properties of 1-(2-benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide?
1-(2-benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 664488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).