N-[(2-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide

C12H12N2O3 — CID 115598819

IUPACN-[(2-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2O)on1
InChIInChI=1S/C12H12N2O3/c1-8-6-11(17-14-8)12(16)13-7-9-4-2-3-5-10(9)15/h2-6,15H,7H2,1H3,(H,13,16)
InChIKeyKNEIDJCNXZBDTI-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.62
Rot. Bonds3

About N-[(2-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[(2-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 115598819) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID115598819
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-[(2-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2O)on1
InChIInChI=1S/C12H12N2O3/c1-8-6-11(17-14-8)12(16)13-7-9-4-2-3-5-10(9)15/h2-6,15H,7H2,1H3,(H,13,16)
InChIKeyKNEIDJCNXZBDTI-UHFFFAOYSA-N
XLogP1.62
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[(2-methyl-3-pyridinyl)methyl]-1,2-oxazole-5-carboxamide
CID 166246895
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 63311080
N-[[4-(chloromethyl)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 107233243
N-[[3-(chloromethyl)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 113272765
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N'-(2-hydroxybenzoyl)-3-methyl-1,2-oxazole-5-carbohydrazide
CID 51250800
N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 111335083
2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119233563
3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide
CID 114618847
3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 137320445
N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 64793807
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 99834698

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 115598819) is N-[(2-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCc2ccccc2O)on1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is KNEIDJCNXZBDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-6-11(17-14-8)12(16)13-7-9-4-2-3-5-10(9)15/h2-6,15H,7H2,1H3,(H,13,16).
What are the key properties of N-[(2-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[(2-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 115598819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).