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

C13H14N2O2S — CID 970322

IUPAC2-ethylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCCSc1ccccc1C(=O)Nc1cc(C)on1
InChIInChI=1S/C13H14N2O2S/c1-3-18-11-7-5-4-6-10(11)13(16)14-12-8-9(2)17-15-12/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyKXEFVOAHPJJCAO-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.35
Rot. Bonds4

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

2-ethylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 970322) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID970322
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-ethylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCCSc1ccccc1C(=O)Nc1cc(C)on1
InChIInChI=1S/C13H14N2O2S/c1-3-18-11-7-5-4-6-10(11)13(16)14-12-8-9(2)17-15-12/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyKXEFVOAHPJJCAO-UHFFFAOYSA-N
XLogP3.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide 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-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
2-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 62166695
2-ethylsulfanyl-N-(5-hydroxy-2-methyl-4-pyridinyl)benzamide
CID 126683060
2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid
CID 17204466
N-(3-chlorophenyl)-2-ethylsulfanylbenzamide
CID 4631179
N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide
CID 4631406
N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide
CID 4631177
2-[(2-ethylsulfanylbenzoyl)amino]benzamide
CID 4631713
2-ethylsulfanyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 90544989
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 41375411
3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62649569

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 2-ethylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 970322) is 2-ethylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide is CCSc1ccccc1C(=O)Nc1cc(C)on1.
What is the InChIKey of 2-ethylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is KXEFVOAHPJJCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-3-18-11-7-5-4-6-10(11)13(16)14-12-8-9(2)17-15-12/h4-8H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 2-ethylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
2-ethylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 262.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 970322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).