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

C12H16N2O4 — CID 24699032

IUPAC1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1oncc1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H16N2O4/c1-8-9(7-13-18-8)10(15)14-12(11(16)17)5-3-2-4-6-12/h7H,2-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyBKDLZUPATSEMOD-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.50
Rot. Bonds3

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

1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 24699032) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID24699032
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1oncc1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H16N2O4/c1-8-9(7-13-18-8)10(15)14-12(11(16)17)5-3-2-4-6-12/h7H,2-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyBKDLZUPATSEMOD-UHFFFAOYSA-N
XLogP1.50
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-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-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 24699032) is 1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1oncc1C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is BKDLZUPATSEMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8-9(7-13-18-8)10(15)14-12(11(16)17)5-3-2-4-6-12/h7H,2-6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 24699032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).