1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-2-carboxylic acid

C17H17ClN2O4 — CID 2958945

IUPAC1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-2-carboxylic acid
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C17H17ClN2O4/c1-10-14(15(19-24-10)11-6-2-3-7-12(11)18)16(21)20-9-5-4-8-13(20)17(22)23/h2-3,6-7,13H,4-5,8-9H2,1H3,(H,22,23)
InChIKeyUEPVIQVAERZLFO-UHFFFAOYSA-N
MW348.79 g/mol
LogP3.38
Rot. Bonds3

About 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-2-carboxylic acid

1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-2-carboxylic acid (PubChem CID 2958945) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-2-carboxylic acid
PubChem CID2958945
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-2-carboxylic acid
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C17H17ClN2O4/c1-10-14(15(19-24-10)11-6-2-3-7-12(11)18)16(21)20-9-5-4-8-13(20)17(22)23/h2-3,6-7,13H,4-5,8-9H2,1H3,(H,22,23)
InChIKeyUEPVIQVAERZLFO-UHFFFAOYSA-N
XLogP3.38
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-2-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-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-2-carboxylic acid (CID 2958945) is 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-2-carboxylic acid is Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is UEPVIQVAERZLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-10-14(15(19-24-10)11-6-2-3-7-12(11)18)16(21)20-9-5-4-8-13(20)17(22)23/h2-3,6-7,13H,4-5,8-9H2,1H3,(H,22,23).
What are the key properties of 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-2-carboxylic acid?
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 348.79 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 2958945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).