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

C15H12N2O3S — CID 17253067

IUPACN-(2-hydroxy-5-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cc(-c3cccs3)on2)c1
InChIInChI=1S/C15H12N2O3S/c1-9-4-5-12(18)10(7-9)16-15(19)11-8-13(20-17-11)14-3-2-6-21-14/h2-8,18H,1H3,(H,16,19)
InChIKeyNOXSPNKHONCJNO-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.67
Rot. Bonds3

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

N-(2-hydroxy-5-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 17253067) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID17253067
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC NameN-(2-hydroxy-5-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cc(-c3cccs3)on2)c1
InChIInChI=1S/C15H12N2O3S/c1-9-4-5-12(18)10(7-9)16-15(19)11-8-13(20-17-11)14-3-2-6-21-14/h2-8,18H,1H3,(H,16,19)
InChIKeyNOXSPNKHONCJNO-UHFFFAOYSA-N
XLogP3.67
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-(3-acetylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253076
N-(2-hydroxy-5-methylphenyl)(5-propylisoxazol-3-yl)carboxamide
CID 17253303
N-(3-hydroxyphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253072
N-benzyl-5-thien-2-ylisoxazole-3-carboxamide
CID 3244595
N-(4-ethylphenyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 15988671
5-Phenyl-isoxazole-3-carboxylic acid (2-hydroxy-5-methyl-phenyl)-amide
CID 973858
N-(2-ethylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 3337764
N-(4-cyanophenyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 16195442
N-(4-acetylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253069
5-(4-hydroxyphenyl)-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 135439713

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 17253067) is N-(2-hydroxy-5-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is Cc1ccc(O)c(NC(=O)c2cc(-c3cccs3)on2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is NOXSPNKHONCJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-9-4-5-12(18)10(7-9)16-15(19)11-8-13(20-17-11)14-3-2-6-21-14/h2-8,18H,1H3,(H,16,19).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(2-hydroxy-5-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).