5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole

C22H13ClFN3O — CID 73053293

IUPAC5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole
SMILESFc1ccc(-c2onc3ccc(-c4ccnn4-c4ccc(Cl)cc4)cc23)cc1
InChIInChI=1S/C22H13ClFN3O/c23-16-4-8-18(9-5-16)27-21(11-12-25-27)15-3-10-20-19(13-15)22(28-26-20)14-1-6-17(24)7-2-14/h1-13H
InChIKeyDQEPOMACZUSJLM-UHFFFAOYSA-N
MW389.82 g/mol
LogP6.14
Rot. Bonds3

About 5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole

5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole (PubChem CID 73053293) has the molecular formula C22H13ClFN3O and a molecular weight of 389.82 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole
PubChem CID73053293
Molecular FormulaC22H13ClFN3O
Molecular Weight389.82 g/mol
Exact Mass389.07
IUPAC Name5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole
SMILESFc1ccc(-c2onc3ccc(-c4ccnn4-c4ccc(Cl)cc4)cc23)cc1
InChIInChI=1S/C22H13ClFN3O/c23-16-4-8-18(9-5-16)27-21(11-12-25-27)15-3-10-20-19(13-15)22(28-26-20)14-1-6-17(24)7-2-14/h1-13H
InChIKeyDQEPOMACZUSJLM-UHFFFAOYSA-N
XLogP6.14
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.82
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole 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 5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole?
The IUPAC name of 5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole (CID 73053293) is 5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole.
What is the SMILES notation for 5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole?
The canonical SMILES for 5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole is Fc1ccc(-c2onc3ccc(-c4ccnn4-c4ccc(Cl)cc4)cc23)cc1.
What is the InChIKey of 5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole?
The InChIKey is DQEPOMACZUSJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFN3O/c23-16-4-8-18(9-5-16)27-21(11-12-25-27)15-3-10-20-19(13-15)22(28-26-20)14-1-6-17(24)7-2-14/h1-13H.
What are the key properties of 5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole?
5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole has a molecular weight of 389.82 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole is sourced from PubChem (CID 73053293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).