N-(1-cyano-4-methylcyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide

C13H17N3O2 — CID 66156744

IUPACN-(1-cyano-4-methylcyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2(C#N)CCC(C)CC2)no1
InChIInChI=1S/C13H17N3O2/c1-9-3-5-13(8-14,6-4-9)15-12(17)11-7-10(2)18-16-11/h7,9H,3-6H2,1-2H3,(H,15,17)
InChIKeyAMXUYQZJYDYJFP-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.19
Rot. Bonds2

About N-(1-cyano-4-methylcyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide

N-(1-cyano-4-methylcyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 66156744) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID66156744
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(1-cyano-4-methylcyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2(C#N)CCC(C)CC2)no1
InChIInChI=1S/C13H17N3O2/c1-9-3-5-13(8-14,6-4-9)15-12(17)11-7-10(2)18-16-11/h7,9H,3-6H2,1-2H3,(H,15,17)
InChIKeyAMXUYQZJYDYJFP-UHFFFAOYSA-N
XLogP2.19
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-cyano-4-methylcyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 66156744) is N-(1-cyano-4-methylcyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2(C#N)CCC(C)CC2)no1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is AMXUYQZJYDYJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-3-5-13(8-14,6-4-9)15-12(17)11-7-10(2)18-16-11/h7,9H,3-6H2,1-2H3,(H,15,17).
What are the key properties of N-(1-cyano-4-methylcyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(1-cyano-4-methylcyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66156744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).