5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxamide

C17H13FN2O3 — CID 15988802

IUPAC5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1
InChIInChI=1S/C17H13FN2O3/c1-10-2-7-15(21)13(8-10)19-17(22)14-9-16(23-20-14)11-3-5-12(18)6-4-11/h2-9,21H,1H3,(H,19,22)
InChIKeyUMYKLUUYYCEWGR-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.75
Rot. Bonds3

About 5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxamide

5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 15988802) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID15988802
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1
InChIInChI=1S/C17H13FN2O3/c1-10-2-7-15(21)13(8-10)19-17(22)14-9-16(23-20-14)11-3-5-12(18)6-4-11/h2-9,21H,1H3,(H,19,22)
InChIKeyUMYKLUUYYCEWGR-UHFFFAOYSA-N
XLogP3.75
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-5-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093763
N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 2769315
N-(2-hydroxy-5-methylphenyl)-5-(2-thienyl)-3-isoxazolecarboxamide
CID 17253067
N-(2-hydroxy-5-methylphenyl)(5-propylisoxazol-3-yl)carboxamide
CID 17253303
N-(2-hydroxyphenyl)-2-(3-methyl-5-isoxazolyl)benzamide
CID 2815026
N-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3571869
N-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3685908
N-(2-hydroxy-5-methylphenyl)-5-isopropyl-4-nitroisoxazole-3-carboxamide
CID 16194498
N-cyclohexyl-5-(4-hydroxyphenyl)-3-isoxazolecarboxamide
CID 135573119
N-(3-acetylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 973882
N-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))[5-(4-fluorophenyl)isoxazol-3-yl]carboxamide
CID 15988804
N-(2-hydroxy-5-methylphenyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 17252840

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxamide (CID 15988802) is 5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(O)c(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is UMYKLUUYYCEWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-10-2-7-15(21)13(8-10)19-17(22)14-9-16(23-20-14)11-3-5-12(18)6-4-11/h2-9,21H,1H3,(H,19,22).
What are the key properties of 5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15988802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).