N-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide

C12H12N2O3 — CID 163522026

IUPACN-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cccc2O)no1
InChIInChI=1S/C12H12N2O3/c1-7-4-3-5-10(15)11(7)13-12(16)9-6-8(2)17-14-9/h3-6,15H,1-2H3,(H,13,16)
InChIKeyPZCIQQXJLVAVCY-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.25
Rot. Bonds2

About N-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide

N-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 163522026) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID163522026
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cccc2O)no1
InChIInChI=1S/C12H12N2O3/c1-7-4-3-5-10(15)11(7)13-12(16)9-6-8(2)17-14-9/h3-6,15H,1-2H3,(H,13,16)
InChIKeyPZCIQQXJLVAVCY-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'}

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Related Compounds

N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 3073016
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 3076174
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
N-(2,6-dimethylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109198250
N-(2-hydroxy-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide;N-(2-hydroxy-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide;N-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide;N-(4-hydroxy-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide;N-(5-hydroxy-2-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 163522023
N-(2,6-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315385
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
5-methyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 1247385
2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 28777043
N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66156908
N-(2-methyl-6-propan-2-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261863

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 163522026) is N-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2c(C)cccc2O)no1.
What is the InChIKey of N-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is PZCIQQXJLVAVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-4-3-5-10(15)11(7)13-12(16)9-6-8(2)17-14-9/h3-6,15H,1-2H3,(H,13,16).
What are the key properties of N-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-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-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 163522026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).