1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid

C16H22N2O4 — CID 120530085

IUPAC1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCc1nc(C2CC2)oc1C(=O)NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C16H22N2O4/c1-9-5-7-16(8-6-9,15(20)21)18-13(19)12-10(2)17-14(22-12)11-3-4-11/h9,11H,3-8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyRFTJKYRQZSTQEG-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.62
Rot. Bonds4

About 1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid

1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 120530085) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID120530085
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCc1nc(C2CC2)oc1C(=O)NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C16H22N2O4/c1-9-5-7-16(8-6-9,15(20)21)18-13(19)12-10(2)17-14(22-12)11-3-4-11/h9,11H,3-8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyRFTJKYRQZSTQEG-UHFFFAOYSA-N
XLogP2.62
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid 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 1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid (CID 120530085) is 1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid is Cc1nc(C2CC2)oc1C(=O)NC1(C(=O)O)CCC(C)CC1.
What is the InChIKey of 1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is RFTJKYRQZSTQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-9-5-7-16(8-6-9,15(20)21)18-13(19)12-10(2)17-14(22-12)11-3-4-11/h9,11H,3-8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid?
1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 306.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 120530085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).