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

C12H12N2O3 — CID 20868329

IUPACN-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cc(C)no2)c1
InChIInChI=1S/C12H12N2O3/c1-7-3-4-10(15)9(5-7)13-12(16)11-6-8(2)14-17-11/h3-6,15H,1-2H3,(H,13,16)
InChIKeyILHDGLYFFGKJQU-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.25
Rot. Bonds2

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

N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 20868329) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID20868329
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cc(C)no2)c1
InChIInChI=1S/C12H12N2O3/c1-7-3-4-10(15)9(5-7)13-12(16)11-6-8(2)14-17-11/h3-6,15H,1-2H3,(H,13,16)
InChIKeyILHDGLYFFGKJQU-UHFFFAOYSA-N
XLogP2.25
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-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

Related Compounds

N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 64793807
N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43600005
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-(2-hydroxy-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 136690185
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60802849
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880182
N-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 103766730
4-methyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 28778001
3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 107272302
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 107800749
5-[[3,5-bis[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]methyl]-1-N,3-N-bis(2-hydroxy-5-methylphenyl)benzene-1,3-dicarboxamide
CID 16753383
2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid
CID 63747201

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 20868329) is N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1ccc(O)c(NC(=O)c2cc(C)no2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is ILHDGLYFFGKJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-3-4-10(15)9(5-7)13-12(16)11-6-8(2)14-17-11/h3-6,15H,1-2H3,(H,13,16).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 2.25, 2 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)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 20868329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).