2-methyl-2-[5-[3-methyl-3-(oxan-4-ylsulfonyl)-2-oxobutyl]-1,2-oxazol-3-yl]propanamide

C17H26N2O6S — CID 58042641

IUPAC2-methyl-2-[5-[3-methyl-3-(oxan-4-ylsulfonyl)-2-oxobutyl]-1,2-oxazol-3-yl]propanamide
SMILESCC(C)(C(N)=O)c1cc(CC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
InChIInChI=1S/C17H26N2O6S/c1-16(2,15(18)21)13-9-11(25-19-13)10-14(20)17(3,4)26(22,23)12-5-7-24-8-6-12/h9,12H,5-8,10H2,1-4H3,(H2,18,21)
InChIKeyYYNBMSLMBJFWQG-UHFFFAOYSA-N
MW386.47 g/mol
LogP0.92
Rot. Bonds7

About 2-methyl-2-[5-[3-methyl-3-(oxan-4-ylsulfonyl)-2-oxobutyl]-1,2-oxazol-3-yl]propanamide

2-methyl-2-[5-[3-methyl-3-(oxan-4-ylsulfonyl)-2-oxobutyl]-1,2-oxazol-3-yl]propanamide (PubChem CID 58042641) has the molecular formula C17H26N2O6S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-methyl-2-[5-[3-methyl-3-(oxan-4-ylsulfonyl)-2-oxobutyl]-1,2-oxazol-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-2-[5-[3-methyl-3-(oxan-4-ylsulfonyl)-2-oxobutyl]-1,2-oxazol-3-yl]propanamide
PubChem CID58042641
Molecular FormulaC17H26N2O6S
Molecular Weight386.47 g/mol
Exact Mass386.15
IUPAC Name2-methyl-2-[5-[3-methyl-3-(oxan-4-ylsulfonyl)-2-oxobutyl]-1,2-oxazol-3-yl]propanamide
SMILESCC(C)(C(N)=O)c1cc(CC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
InChIInChI=1S/C17H26N2O6S/c1-16(2,15(18)21)13-9-11(25-19-13)10-14(20)17(3,4)26(22,23)12-5-7-24-8-6-12/h9,12H,5-8,10H2,1-4H3,(H2,18,21)
InChIKeyYYNBMSLMBJFWQG-UHFFFAOYSA-N
XLogP0.92
TPSA129.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-2-[5-[3-methyl-3-(oxan-4-ylsulfonyl)-2-oxobutyl]-1,2-oxazol-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-[3-methyl-3-(oxan-4-ylsulfonyl)-2-oxobutyl]-1,2-oxazol-3-yl]propanamide?
The IUPAC name of 2-methyl-2-[5-[3-methyl-3-(oxan-4-ylsulfonyl)-2-oxobutyl]-1,2-oxazol-3-yl]propanamide (CID 58042641) is 2-methyl-2-[5-[3-methyl-3-(oxan-4-ylsulfonyl)-2-oxobutyl]-1,2-oxazol-3-yl]propanamide.
What is the SMILES notation for 2-methyl-2-[5-[3-methyl-3-(oxan-4-ylsulfonyl)-2-oxobutyl]-1,2-oxazol-3-yl]propanamide?
The canonical SMILES for 2-methyl-2-[5-[3-methyl-3-(oxan-4-ylsulfonyl)-2-oxobutyl]-1,2-oxazol-3-yl]propanamide is CC(C)(C(N)=O)c1cc(CC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1.
What is the InChIKey of 2-methyl-2-[5-[3-methyl-3-(oxan-4-ylsulfonyl)-2-oxobutyl]-1,2-oxazol-3-yl]propanamide?
The InChIKey is YYNBMSLMBJFWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6S/c1-16(2,15(18)21)13-9-11(25-19-13)10-14(20)17(3,4)26(22,23)12-5-7-24-8-6-12/h9,12H,5-8,10H2,1-4H3,(H2,18,21).
What are the key properties of 2-methyl-2-[5-[3-methyl-3-(oxan-4-ylsulfonyl)-2-oxobutyl]-1,2-oxazol-3-yl]propanamide?
2-methyl-2-[5-[3-methyl-3-(oxan-4-ylsulfonyl)-2-oxobutyl]-1,2-oxazol-3-yl]propanamide has a molecular weight of 386.47 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-[3-methyl-3-(oxan-4-ylsulfonyl)-2-oxobutyl]-1,2-oxazol-3-yl]propanamide is sourced from PubChem (CID 58042641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).