N-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide

C13H14N2O2 — CID 110857529

IUPACN-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C13H14N2O2/c1-8-5-4-6-9(2)11(8)15-13(16)12-10(3)7-14-17-12/h4-7H,1-3H3,(H,15,16)
InChIKeyKWQGJGGAIIUIAG-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.85
Rot. Bonds2

About N-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide

N-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 110857529) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID110857529
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C13H14N2O2/c1-8-5-4-6-9(2)11(8)15-13(16)12-10(3)7-14-17-12/h4-7H,1-3H3,(H,15,16)
InChIKeyKWQGJGGAIIUIAG-UHFFFAOYSA-N
XLogP2.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,6-dimethylphenyl)-4-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-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110858747
N-(2,6-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113442
4-methyl-N-(3-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
CID 66335294
N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 114051086
N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335259
N-(2,6-difluoro-3-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 103098068
4-methyl-N-(1H-pyrazol-4-yl)-1,2-oxazole-5-carboxamide
CID 66335411
4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 66335716
2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid
CID 66335537
(2S)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid
CID 103804634
N-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide
CID 102989712
3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66336599

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide (CID 110857529) is N-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is KWQGJGGAIIUIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-5-4-6-9(2)11(8)15-13(16)12-10(3)7-14-17-12/h4-7H,1-3H3,(H,15,16).
What are the key properties of N-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide?
N-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110857529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).