2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide

C11H17ClN2O4S — CID 95625932

IUPAC2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
SMILESCCS(=O)(=O)C[C@@H](C)NC(=O)Cc1c(C)noc1Cl
InChIInChI=1S/C11H17ClN2O4S/c1-4-19(16,17)6-7(2)13-10(15)5-9-8(3)14-18-11(9)12/h7H,4-6H2,1-3H3,(H,13,15)/t7-/m1/s1
InChIKeyVYHSLTJPBKZPMC-SSDOTTSWSA-N
MW308.79 g/mol
LogP1.12
Rot. Bonds6

About 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide

2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide (PubChem CID 95625932) has the molecular formula C11H17ClN2O4S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
PubChem CID95625932
Molecular FormulaC11H17ClN2O4S
Molecular Weight308.79 g/mol
Exact Mass308.06
IUPAC Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
SMILESCCS(=O)(=O)C[C@@H](C)NC(=O)Cc1c(C)noc1Cl
InChIInChI=1S/C11H17ClN2O4S/c1-4-19(16,17)6-7(2)13-10(15)5-9-8(3)14-18-11(9)12/h7H,4-6H2,1-3H3,(H,13,15)/t7-/m1/s1
InChIKeyVYHSLTJPBKZPMC-SSDOTTSWSA-N
XLogP1.12
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide 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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 94991536
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 45808602
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide
CID 52177381
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]acetamide
CID 52177384
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide
CID 53576695
2-(5-Chloro-3-methyl-1,2-oxazol-4-yl)-1-(3-ethylsulfanylazepan-1-yl)ethanone
CID 56787965
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(1-ethylsulfonylpropan-2-yl)acetamide
CID 56789828
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(4-ethylsulfanyloxan-4-yl)methyl]acetamide
CID 72001629
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-methylsulfonylcyclohexyl)acetamide
CID 72003694
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-methylsulfanylcyclohexyl)acetamide
CID 72005380
2-(3,5-dimethylisoxazol-4-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
CID 75356747
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,1-dioxothian-4-yl)acetamide
CID 75461569

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide?
The IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide (CID 95625932) is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide?
The canonical SMILES for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide is CCS(=O)(=O)C[C@@H](C)NC(=O)Cc1c(C)noc1Cl.
What is the InChIKey of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide?
The InChIKey is VYHSLTJPBKZPMC-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17ClN2O4S/c1-4-19(16,17)6-7(2)13-10(15)5-9-8(3)14-18-11(9)12/h7H,4-6H2,1-3H3,(H,13,15)/t7-/m1/s1.
What are the key properties of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide?
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide has a molecular weight of 308.79 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide is sourced from PubChem (CID 95625932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).