3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-4-carboxamide

C24H27ClN4O2 — CID 87032432

IUPAC3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(CCN2CCN(C)CC2)cc1
InChIInChI=1S/C24H27ClN4O2/c1-17-22(23(27-31-17)20-5-3-4-6-21(20)25)24(30)26-19-9-7-18(8-10-19)11-12-29-15-13-28(2)14-16-29/h3-10H,11-16H2,1-2H3,(H,26,30)
InChIKeyAHIBMJAKFYQDSO-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.35
Rot. Bonds6

About 3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 87032432) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID87032432
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(CCN2CCN(C)CC2)cc1
InChIInChI=1S/C24H27ClN4O2/c1-17-22(23(27-31-17)20-5-3-4-6-21(20)25)24(30)26-19-9-7-18(8-10-19)11-12-29-15-13-28(2)14-16-29/h3-10H,11-16H2,1-2H3,(H,26,30)
InChIKeyAHIBMJAKFYQDSO-UHFFFAOYSA-N
XLogP4.35
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-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

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-4-carboxamide (CID 87032432) is 3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(CCN2CCN(C)CC2)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is AHIBMJAKFYQDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-17-22(23(27-31-17)20-5-3-4-6-21(20)25)24(30)26-19-9-7-18(8-10-19)11-12-29-15-13-28(2)14-16-29/h3-10H,11-16H2,1-2H3,(H,26,30).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 438.96 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 87032432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).