2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide

C13H14N2O2 — CID 3076186

IUPAC2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2c(C)cccc2C)on1
InChIInChI=1S/C13H14N2O2/c1-8-5-4-6-9(2)12(8)13(16)14-11-7-10(3)15-17-11/h4-7H,1-3H3,(H,14,16)
InChIKeyOBVJNABVWKZHLJ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.85
Rot. Bonds2

About 2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide

2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide (PubChem CID 3076186) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
PubChem CID3076186
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2c(C)cccc2C)on1
InChIInChI=1S/C13H14N2O2/c1-8-5-4-6-9(2)12(8)13(16)14-11-7-10(3)15-17-11/h4-7H,1-3H3,(H,14,16)
InChIKeyOBVJNABVWKZHLJ-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

2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide
CID 13229305
3-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 45284583
4-hydroxy-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 113341390
2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62648700
3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 24709345
N-(3-methyl-1,2-oxazol-5-yl)carbamate
CID 22936595
6-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyridazine-3-carboxamide
CID 60859349
2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914
3-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 76907137
4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 102850771
2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 61089900
4-(ethylamino)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62184915

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide (CID 3076186) is 2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide is Cc1cc(NC(=O)c2c(C)cccc2C)on1.
What is the InChIKey of 2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is OBVJNABVWKZHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-5-4-6-9(2)12(8)13(16)14-11-7-10(3)15-17-11/h4-7H,1-3H3,(H,14,16).
What are the key properties of 2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide 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 2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 3076186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).