N-(4-fluorophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide

C20H13FN2O2 — CID 7465250

IUPACN-(4-fluorophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C20H13FN2O2/c21-15-7-9-16(10-8-15)22-20(24)14-6-11-18-17(12-14)19(25-23-18)13-4-2-1-3-5-13/h1-12H,(H,22,24)
InChIKeyIQPZFBODSWASFC-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.89
Rot. Bonds3

About N-(4-fluorophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide

N-(4-fluorophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 7465250) has the molecular formula C20H13FN2O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID7465250
Molecular FormulaC20H13FN2O2
Molecular Weight332.33 g/mol
Exact Mass332.10
IUPAC NameN-(4-fluorophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C20H13FN2O2/c21-15-7-9-16(10-8-15)22-20(24)14-6-11-18-17(12-14)19(25-23-18)13-4-2-1-3-5-13/h1-12H,(H,22,24)
InChIKeyIQPZFBODSWASFC-UHFFFAOYSA-N
XLogP4.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-fluorophenyl)-3-phenyl-2,1-benzoxazole-5-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 N-(4-fluorophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 7465250) is N-(4-fluorophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of N-(4-fluorophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is IQPZFBODSWASFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O2/c21-15-7-9-16(10-8-15)22-20(24)14-6-11-18-17(12-14)19(25-23-18)13-4-2-1-3-5-13/h1-12H,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-(4-fluorophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 7465250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).