2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide

C12H20N2O3S — CID 99695697

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
SMILESCSC[C@](C)(O)CNC(=O)Cc1c(C)noc1C
InChIInChI=1S/C12H20N2O3S/c1-8-10(9(2)17-14-8)5-11(15)13-6-12(3,16)7-18-4/h16H,5-7H2,1-4H3,(H,13,15)/t12-/m1/s1
InChIKeyWKBLEMJGRIAUTR-GFCCVEGCSA-N
MW272.37 g/mol
LogP1.06
Rot. Bonds6

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide (PubChem CID 99695697) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
PubChem CID99695697
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
SMILESCSC[C@](C)(O)CNC(=O)Cc1c(C)noc1C
InChIInChI=1S/C12H20N2O3S/c1-8-10(9(2)17-14-8)5-11(15)13-6-12(3,16)7-18-4/h16H,5-7H2,1-4H3,(H,13,15)/t12-/m1/s1
InChIKeyWKBLEMJGRIAUTR-GFCCVEGCSA-N
XLogP1.06
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]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-(2-pyrrolidin-1-ylbutyl)acetamide
CID 45887235
N-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-3-yl]methyl]acetamide
CID 75462370
2-(((3,5-Dimethylisoxazol-4-yl)methyl)thio)-N-methylacetamide
CID 8026576
5-[2-(3,5-Dimethyl-1,2-oxazol-4-yl)acetyl]-1,5-diazacycloundecan-2-one
CID 110201431
2-(Dimethyl-1,2-oxazol-4-yl)-1-(piperazin-1-yl)ethan-1-one
CID 16228155
N-cyclooctyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30272721
N-tert-butyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 45843621
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)acetamide
CID 47179413
N-cyclopropyl-2-(3,5-dimethylisoxazol-4-yl)acetamide
CID 49712359
2-(3,5-dimethyl-4-isoxazolyl)-N-[(4-hydroxy-4-azepanyl)methyl]acetamide
CID 56890561
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)acetamide
CID 75461721
N-[(1S)-1-cyclopropylethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 94014867

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide (CID 99695697) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide is CSC[C@](C)(O)CNC(=O)Cc1c(C)noc1C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide?
The InChIKey is WKBLEMJGRIAUTR-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-8-10(9(2)17-14-8)5-11(15)13-6-12(3,16)7-18-4/h16H,5-7H2,1-4H3,(H,13,15)/t12-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide has a molecular weight of 272.37 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide is sourced from PubChem (CID 99695697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).