[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone

C21H19Cl2N3O2 — CID 1005075

IUPAC[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H19Cl2N3O2/c1-14-19(20(24-28-14)17-7-2-3-8-18(17)23)21(27)26-11-9-25(10-12-26)16-6-4-5-15(22)13-16/h2-8,13H,9-12H2,1H3
InChIKeyVZPGZECGVVSLET-UHFFFAOYSA-N
MW416.31 g/mol
LogP4.92
Rot. Bonds3

About [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 1005075) has the molecular formula C21H19Cl2N3O2 and a molecular weight of 416.31 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID1005075
Molecular FormulaC21H19Cl2N3O2
Molecular Weight416.31 g/mol
Exact Mass415.09
IUPAC Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H19Cl2N3O2/c1-14-19(20(24-28-14)17-7-2-3-8-18(17)23)21(27)26-11-9-25(10-12-26)16-6-4-5-15(22)13-16/h2-8,13H,9-12H2,1H3
InChIKeyVZPGZECGVVSLET-UHFFFAOYSA-N
XLogP4.92
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone 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-1,2-oxazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 1005075) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone is Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is VZPGZECGVVSLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O2/c1-14-19(20(24-28-14)17-7-2-3-8-18(17)23)21(27)26-11-9-25(10-12-26)16-6-4-5-15(22)13-16/h2-8,13H,9-12H2,1H3.
What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 416.31 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1005075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).