3-(4-chlorophenyl)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-1,2-oxazole

C19H13Cl2N3O3S — CID 2745582

IUPAC3-(4-chlorophenyl)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-1,2-oxazole
SMILESCc1onc(-c2ccc(Cl)cc2)c1-c1ccnn1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl2N3O3S/c1-12-18(19(23-27-12)13-2-4-14(20)5-3-13)17-10-11-22-24(17)28(25,26)16-8-6-15(21)7-9-16/h2-11H,1H3
InChIKeyQASGPUPCOAYNFP-UHFFFAOYSA-N
MW434.30 g/mol
LogP5.06
Rot. Bonds4

About 3-(4-chlorophenyl)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-1,2-oxazole

3-(4-chlorophenyl)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-1,2-oxazole (PubChem CID 2745582) has the molecular formula C19H13Cl2N3O3S and a molecular weight of 434.30 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-1,2-oxazole
PubChem CID2745582
Molecular FormulaC19H13Cl2N3O3S
Molecular Weight434.30 g/mol
Exact Mass433.01
IUPAC Name3-(4-chlorophenyl)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-1,2-oxazole
SMILESCc1onc(-c2ccc(Cl)cc2)c1-c1ccnn1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl2N3O3S/c1-12-18(19(23-27-12)13-2-4-14(20)5-3-13)17-10-11-22-24(17)28(25,26)16-8-6-15(21)7-9-16/h2-11H,1H3
InChIKeyQASGPUPCOAYNFP-UHFFFAOYSA-N
XLogP5.06
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.30
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-chlorophenyl)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-1,2-oxazole 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-(4-chlorophenyl)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-1,2-oxazole (CID 2745582) is 3-(4-chlorophenyl)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-1,2-oxazole is Cc1onc(-c2ccc(Cl)cc2)c1-c1ccnn1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-1,2-oxazole?
The InChIKey is QASGPUPCOAYNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O3S/c1-12-18(19(23-27-12)13-2-4-14(20)5-3-13)17-10-11-22-24(17)28(25,26)16-8-6-15(21)7-9-16/h2-11H,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-1,2-oxazole?
3-(4-chlorophenyl)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-1,2-oxazole has a molecular weight of 434.30 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 2745582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).