3-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1-(2,2,2-trifluoroethyl)azetidin-2-one

C11H13F3N2O2S — CID 138048457

IUPAC3-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1-(2,2,2-trifluoroethyl)azetidin-2-one
SMILESCc1coc(SCC2(C)CN(CC(F)(F)F)C2=O)n1
InChIInChI=1S/C11H13F3N2O2S/c1-7-3-18-9(15-7)19-6-10(2)4-16(8(10)17)5-11(12,13)14/h3H,4-6H2,1-2H3
InChIKeyRUMKDIHISAUBEM-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.49
Rot. Bonds4

About 3-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1-(2,2,2-trifluoroethyl)azetidin-2-one

3-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1-(2,2,2-trifluoroethyl)azetidin-2-one (PubChem CID 138048457) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 3-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1-(2,2,2-trifluoroethyl)azetidin-2-one.

Molecular Properties

Compound Name3-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1-(2,2,2-trifluoroethyl)azetidin-2-one
PubChem CID138048457
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name3-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1-(2,2,2-trifluoroethyl)azetidin-2-one
SMILESCc1coc(SCC2(C)CN(CC(F)(F)F)C2=O)n1
InChIInChI=1S/C11H13F3N2O2S/c1-7-3-18-9(15-7)19-6-10(2)4-16(8(10)17)5-11(12,13)14/h3H,4-6H2,1-2H3
InChIKeyRUMKDIHISAUBEM-UHFFFAOYSA-N
XLogP2.49
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1-(2,2,2-trifluoroethyl)azetidin-2-one?
The IUPAC name of 3-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1-(2,2,2-trifluoroethyl)azetidin-2-one (CID 138048457) is 3-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1-(2,2,2-trifluoroethyl)azetidin-2-one.
What is the SMILES notation for 3-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1-(2,2,2-trifluoroethyl)azetidin-2-one?
The canonical SMILES for 3-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1-(2,2,2-trifluoroethyl)azetidin-2-one is Cc1coc(SCC2(C)CN(CC(F)(F)F)C2=O)n1.
What is the InChIKey of 3-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1-(2,2,2-trifluoroethyl)azetidin-2-one?
The InChIKey is RUMKDIHISAUBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-7-3-18-9(15-7)19-6-10(2)4-16(8(10)17)5-11(12,13)14/h3H,4-6H2,1-2H3.
What are the key properties of 3-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1-(2,2,2-trifluoroethyl)azetidin-2-one?
3-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1-(2,2,2-trifluoroethyl)azetidin-2-one has a molecular weight of 294.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1-(2,2,2-trifluoroethyl)azetidin-2-one is sourced from PubChem (CID 138048457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).