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

C12H12N2O3 — CID 64793807

IUPACN-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(O)c2C)on1
InChIInChI=1S/C12H12N2O3/c1-7-6-11(17-14-7)12(16)13-9-4-3-5-10(15)8(9)2/h3-6,15H,1-2H3,(H,13,16)
InChIKeyVNNMIHDJMVHYIS-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.25
Rot. Bonds2

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

N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 64793807) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID64793807
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(O)c2C)on1
InChIInChI=1S/C12H12N2O3/c1-7-6-11(17-14-7)12(16)13-9-4-3-5-10(15)8(9)2/h3-6,15H,1-2H3,(H,13,16)
InChIKeyVNNMIHDJMVHYIS-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

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Related Compounds

N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 20868329
N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43600005
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 63722414
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 107800749
3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 43911360
N-(3-hydroxy-2-methylphenyl)furan-2-carboxamide
CID 64792711
N-(6-carbamoyl-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 71874616
3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 107272302
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648
2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid
CID 63747201
3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide
CID 47131140

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 64793807) is N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2cccc(O)c2C)on1.
What is the InChIKey of N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is VNNMIHDJMVHYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-6-11(17-14-7)12(16)13-9-4-3-5-10(15)8(9)2/h3-6,15H,1-2H3,(H,13,16).
What are the key properties of N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(3-hydroxy-2-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-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 64793807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).