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'}

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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).