5-methyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide

C12H12N2O2 — CID 850271

IUPAC5-methyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnoc2C)cc1
InChIInChI=1S/C12H12N2O2/c1-8-3-5-10(6-4-8)14-12(15)11-7-13-16-9(11)2/h3-7H,1-2H3,(H,14,15)
InChIKeyMIOYDAUCMWWNRH-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.54
Rot. Bonds2

About 5-methyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide

5-methyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 850271) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-methyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID850271
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-methyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnoc2C)cc1
InChIInChI=1S/C12H12N2O2/c1-8-3-5-10(6-4-8)14-12(15)11-7-13-16-9(11)2/h3-7H,1-2H3,(H,14,15)
InChIKeyMIOYDAUCMWWNRH-UHFFFAOYSA-N
XLogP2.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Leflunomide
CID 3899
5-methyl-N-(1-naphthyl)-4-isoxazolecarboxamide
CID 850302
N-(4-cyanophenyl)-3,5-dimethylisoxazole-4-carboxamide
CID 2741509
N-{4-[(3,5-dimethylisoxazol-4-yl)carbonylamino]phenyl}acetamide
CID 4791027
N-(2-methylphenyl)-1,2-oxazole-5-carboxamide
CID 7996638
N-(4-cyanophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 8145913
N-[4-(diethylcarbamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9502259
N-isoxazol-5-yl-N'-(4-methylphenyl)urea
CID 2744684
N-(4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2304303
5-methyl-N-(2-naphthyl)-4-isoxazolecarboxamide
CID 850303
T6893643
CID 850846
3-ethyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 3360513

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide (CID 850271) is 5-methyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2cnoc2C)cc1.
What is the InChIKey of 5-methyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is MIOYDAUCMWWNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-3-5-10(6-4-8)14-12(15)11-7-13-16-9(11)2/h3-7H,1-2H3,(H,14,15).
What are the key properties of 5-methyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
5-methyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 850271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).