3-(4-chlorophenyl)-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole

C31H22ClN3O2 — CID 155514659

IUPAC3-(4-chlorophenyl)-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole
SMILESClc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)cc3)on2)cc1
InChIInChI=1S/C31H22ClN3O2/c32-25-15-11-23(12-16-25)29-19-30(37-34-29)28-20-35(26-9-5-2-6-10-26)33-31(28)24-13-17-27(18-14-24)36-21-22-7-3-1-4-8-22/h1-20H,21H2
InChIKeyHVCATJDIMKDNQF-UHFFFAOYSA-N
MW503.99 g/mol
LogP8.09
Rot. Bonds7

About 3-(4-chlorophenyl)-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole

3-(4-chlorophenyl)-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole (PubChem CID 155514659) has the molecular formula C31H22ClN3O2 and a molecular weight of 503.99 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole
PubChem CID155514659
Molecular FormulaC31H22ClN3O2
Molecular Weight503.99 g/mol
Exact Mass503.14
IUPAC Name3-(4-chlorophenyl)-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole
SMILESClc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)cc3)on2)cc1
InChIInChI=1S/C31H22ClN3O2/c32-25-15-11-23(12-16-25)29-19-30(37-34-29)28-20-35(26-9-5-2-6-10-26)33-31(28)24-13-17-27(18-14-24)36-21-22-7-3-1-4-8-22/h1-20H,21H2
InChIKeyHVCATJDIMKDNQF-UHFFFAOYSA-N
XLogP8.09
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.99
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-chlorophenyl)-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-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)-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole (CID 155514659) is 3-(4-chlorophenyl)-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole is Clc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)cc3)on2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole?
The InChIKey is HVCATJDIMKDNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22ClN3O2/c32-25-15-11-23(12-16-25)29-19-30(37-34-29)28-20-35(26-9-5-2-6-10-26)33-31(28)24-13-17-27(18-14-24)36-21-22-7-3-1-4-8-22/h1-20H,21H2.
What are the key properties of 3-(4-chlorophenyl)-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole?
3-(4-chlorophenyl)-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole has a molecular weight of 503.99 g/mol, XLogP of 8.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 155514659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).