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

C17H14N2O3 — CID 973858

IUPACN-(2-hydroxy-5-methylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cc(-c3ccccc3)on2)c1
InChIInChI=1S/C17H14N2O3/c1-11-7-8-15(20)13(9-11)18-17(21)14-10-16(22-19-14)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,21)
InChIKeyTUQHYPWNPZBPFM-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.61
Rot. Bonds3

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

N-(2-hydroxy-5-methylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 973858) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID973858
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-(2-hydroxy-5-methylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cc(-c3ccccc3)on2)c1
InChIInChI=1S/C17H14N2O3/c1-11-7-8-15(20)13(9-11)18-17(21)14-10-16(22-19-14)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,21)
InChIKeyTUQHYPWNPZBPFM-UHFFFAOYSA-N
XLogP3.61
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093850
N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093730
N-(2-hydroxy-5-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093763
5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)isoxazole-3-carboxamide
CID 15988802
N-(2-hydroxy-5-methylphenyl)-5-(2-thienyl)-3-isoxazolecarboxamide
CID 17253067
N-(2-hydroxy-5-methylphenyl)(5-propylisoxazol-3-yl)carboxamide
CID 17253303
3-Isoxazolecarboxamide, 5-methyl-N-(2-(phenylmethyl)phenyl)-
CID 1246614
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-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3685905
N-(3-hydroxyphenyl)-5-isobutylisoxazole-3-carboxamide
CID 16194030
N-(2-hydroxy-5-methylphenyl)-5-isopropyl-4-nitroisoxazole-3-carboxamide
CID 16194498

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 973858) is N-(2-hydroxy-5-methylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide is Cc1ccc(O)c(NC(=O)c2cc(-c3ccccc3)on2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is TUQHYPWNPZBPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11-7-8-15(20)13(9-11)18-17(21)14-10-16(22-19-14)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,21).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(2-hydroxy-5-methylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 973858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).