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

C17H28N2O5S — CID 45111192

IUPAC2-methyl-2-(3-methylbutylsulfonyl)-N-[3-(oxan-4-yl)-1,2-oxazol-5-yl]propanamide
SMILESCC(C)CCS(=O)(=O)C(C)(C)C(=O)Nc1cc(C2CCOCC2)no1
InChIInChI=1S/C17H28N2O5S/c1-12(2)7-10-25(21,22)17(3,4)16(20)18-15-11-14(19-24-15)13-5-8-23-9-6-13/h11-13H,5-10H2,1-4H3,(H,18,20)
InChIKeyXTWHTWAACLSSGM-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.75
Rot. Bonds7

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

2-methyl-2-(3-methylbutylsulfonyl)-N-[3-(oxan-4-yl)-1,2-oxazol-5-yl]propanamide (PubChem CID 45111192) has the molecular formula C17H28N2O5S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-methyl-2-(3-methylbutylsulfonyl)-N-[3-(oxan-4-yl)-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(3-methylbutylsulfonyl)-N-[3-(oxan-4-yl)-1,2-oxazol-5-yl]propanamide
PubChem CID45111192
Molecular FormulaC17H28N2O5S
Molecular Weight372.49 g/mol
Exact Mass372.17
IUPAC Name2-methyl-2-(3-methylbutylsulfonyl)-N-[3-(oxan-4-yl)-1,2-oxazol-5-yl]propanamide
SMILESCC(C)CCS(=O)(=O)C(C)(C)C(=O)Nc1cc(C2CCOCC2)no1
InChIInChI=1S/C17H28N2O5S/c1-12(2)7-10-25(21,22)17(3,4)16(20)18-15-11-14(19-24-15)13-5-8-23-9-6-13/h11-13H,5-10H2,1-4H3,(H,18,20)
InChIKeyXTWHTWAACLSSGM-UHFFFAOYSA-N
XLogP2.75
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylbutylsulfonyl)-N-[3-(oxan-4-yl)-1,2-oxazol-5-yl]propanamide?
The IUPAC name of 2-methyl-2-(3-methylbutylsulfonyl)-N-[3-(oxan-4-yl)-1,2-oxazol-5-yl]propanamide (CID 45111192) is 2-methyl-2-(3-methylbutylsulfonyl)-N-[3-(oxan-4-yl)-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for 2-methyl-2-(3-methylbutylsulfonyl)-N-[3-(oxan-4-yl)-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for 2-methyl-2-(3-methylbutylsulfonyl)-N-[3-(oxan-4-yl)-1,2-oxazol-5-yl]propanamide is CC(C)CCS(=O)(=O)C(C)(C)C(=O)Nc1cc(C2CCOCC2)no1.
What is the InChIKey of 2-methyl-2-(3-methylbutylsulfonyl)-N-[3-(oxan-4-yl)-1,2-oxazol-5-yl]propanamide?
The InChIKey is XTWHTWAACLSSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5S/c1-12(2)7-10-25(21,22)17(3,4)16(20)18-15-11-14(19-24-15)13-5-8-23-9-6-13/h11-13H,5-10H2,1-4H3,(H,18,20).
What are the key properties of 2-methyl-2-(3-methylbutylsulfonyl)-N-[3-(oxan-4-yl)-1,2-oxazol-5-yl]propanamide?
2-methyl-2-(3-methylbutylsulfonyl)-N-[3-(oxan-4-yl)-1,2-oxazol-5-yl]propanamide has a molecular weight of 372.49 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylbutylsulfonyl)-N-[3-(oxan-4-yl)-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 45111192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).