[2-(2-chlorophenyl)-1,3-oxazol-4-yl]-[3-(2,2-difluoroethyl)azetidin-1-yl]methanone

C15H13ClF2N2O2 — CID 154794770

IUPAC[2-(2-chlorophenyl)-1,3-oxazol-4-yl]-[3-(2,2-difluoroethyl)azetidin-1-yl]methanone
SMILESO=C(c1coc(-c2ccccc2Cl)n1)N1CC(CC(F)F)C1
InChIInChI=1S/C15H13ClF2N2O2/c16-11-4-2-1-3-10(11)14-19-12(8-22-14)15(21)20-6-9(7-20)5-13(17)18/h1-4,8-9,13H,5-7H2
InChIKeyXLHSXCJGISRURX-UHFFFAOYSA-N
MW326.73 g/mol
LogP3.72
Rot. Bonds4

About [2-(2-chlorophenyl)-1,3-oxazol-4-yl]-[3-(2,2-difluoroethyl)azetidin-1-yl]methanone

[2-(2-chlorophenyl)-1,3-oxazol-4-yl]-[3-(2,2-difluoroethyl)azetidin-1-yl]methanone (PubChem CID 154794770) has the molecular formula C15H13ClF2N2O2 and a molecular weight of 326.73 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1,3-oxazol-4-yl]-[3-(2,2-difluoroethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1,3-oxazol-4-yl]-[3-(2,2-difluoroethyl)azetidin-1-yl]methanone
PubChem CID154794770
Molecular FormulaC15H13ClF2N2O2
Molecular Weight326.73 g/mol
Exact Mass326.06
IUPAC Name[2-(2-chlorophenyl)-1,3-oxazol-4-yl]-[3-(2,2-difluoroethyl)azetidin-1-yl]methanone
SMILESO=C(c1coc(-c2ccccc2Cl)n1)N1CC(CC(F)F)C1
InChIInChI=1S/C15H13ClF2N2O2/c16-11-4-2-1-3-10(11)14-19-12(8-22-14)15(21)20-6-9(7-20)5-13(17)18/h1-4,8-9,13H,5-7H2
InChIKeyXLHSXCJGISRURX-UHFFFAOYSA-N
XLogP3.72
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.73
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1,3-oxazol-4-yl]-[3-(2,2-difluoroethyl)azetidin-1-yl]methanone?
The IUPAC name of [2-(2-chlorophenyl)-1,3-oxazol-4-yl]-[3-(2,2-difluoroethyl)azetidin-1-yl]methanone (CID 154794770) is [2-(2-chlorophenyl)-1,3-oxazol-4-yl]-[3-(2,2-difluoroethyl)azetidin-1-yl]methanone.
What is the SMILES notation for [2-(2-chlorophenyl)-1,3-oxazol-4-yl]-[3-(2,2-difluoroethyl)azetidin-1-yl]methanone?
The canonical SMILES for [2-(2-chlorophenyl)-1,3-oxazol-4-yl]-[3-(2,2-difluoroethyl)azetidin-1-yl]methanone is O=C(c1coc(-c2ccccc2Cl)n1)N1CC(CC(F)F)C1.
What is the InChIKey of [2-(2-chlorophenyl)-1,3-oxazol-4-yl]-[3-(2,2-difluoroethyl)azetidin-1-yl]methanone?
The InChIKey is XLHSXCJGISRURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O2/c16-11-4-2-1-3-10(11)14-19-12(8-22-14)15(21)20-6-9(7-20)5-13(17)18/h1-4,8-9,13H,5-7H2.
What are the key properties of [2-(2-chlorophenyl)-1,3-oxazol-4-yl]-[3-(2,2-difluoroethyl)azetidin-1-yl]methanone?
[2-(2-chlorophenyl)-1,3-oxazol-4-yl]-[3-(2,2-difluoroethyl)azetidin-1-yl]methanone has a molecular weight of 326.73 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-1,3-oxazol-4-yl]-[3-(2,2-difluoroethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 154794770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).