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

C13H14N2O2 — CID 3076181

IUPACN-(2,6-dimethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cccc2C)on1
InChIInChI=1S/C13H14N2O2/c1-8-5-4-6-9(2)12(8)14-13(16)11-7-10(3)15-17-11/h4-7H,1-3H3,(H,14,16)
InChIKeyFHVARLQQOOSNBF-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.85
Rot. Bonds2

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

N-(2,6-dimethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 3076181) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID3076181
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-(2,6-dimethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cccc2C)on1
InChIInChI=1S/C13H14N2O2/c1-8-5-4-6-9(2)12(8)14-13(16)11-7-10(3)15-17-11/h4-7H,1-3H3,(H,14,16)
InChIKeyFHVARLQQOOSNBF-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

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Related Compounds

3-Isoxazolecarboxamide, 5-methyl-N-(2-(trifluoromethyl)phenyl)-
CID 3073007
T56-LIMKi
CID 9438169
N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 2769315
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 6622808
N-(4-ethylphenyl)-5-propyl-3-isoxazolecarboxamide
CID 17253304
3-Isoxazolecarboxamide, 5-methyl-N-(2-(phenylmethyl)phenyl)-
CID 1246614
3-Isoxazolecarboxamide, 5-methyl-N-(2,4,6-trimethylphenyl)-
CID 3076176
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-(2-methylphenyl)-1,2-oxazole-5-carboxamide
CID 7996638
N-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide
CID 17095608
5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide
CID 8880740
5-methyl-N-(4-methylphenyl)-3-isoxazolecarboxamide
CID 3236095

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 3076181) is N-(2,6-dimethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2c(C)cccc2C)on1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is FHVARLQQOOSNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-5-4-6-9(2)12(8)14-13(16)11-7-10(3)15-17-11/h4-7H,1-3H3,(H,14,16).
What are the key properties of N-(2,6-dimethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(2,6-dimethylphenyl)-3-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)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3076181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).