2-(4-fluorophenyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone

C17H14FN3O3 — CID 71784474

IUPAC2-(4-fluorophenyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CC(c2nc(-c3ccco3)no2)C1
InChIInChI=1S/C17H14FN3O3/c18-13-5-3-11(4-6-13)8-15(22)21-9-12(10-21)17-19-16(20-24-17)14-2-1-7-23-14/h1-7,12H,8-10H2
InChIKeyDFCXXPIYHTVPDQ-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.64
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone (PubChem CID 71784474) has the molecular formula C17H14FN3O3 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
PubChem CID71784474
Molecular FormulaC17H14FN3O3
Molecular Weight327.31 g/mol
Exact Mass327.10
IUPAC Name2-(4-fluorophenyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CC(c2nc(-c3ccco3)no2)C1
InChIInChI=1S/C17H14FN3O3/c18-13-5-3-11(4-6-13)8-15(22)21-9-12(10-21)17-19-16(20-24-17)14-2-1-7-23-14/h1-7,12H,8-10H2
InChIKeyDFCXXPIYHTVPDQ-UHFFFAOYSA-N
XLogP2.64
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone (CID 71784474) is 2-(4-fluorophenyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CC(c2nc(-c3ccco3)no2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone?
The InChIKey is DFCXXPIYHTVPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c18-13-5-3-11(4-6-13)8-15(22)21-9-12(10-21)17-19-16(20-24-17)14-2-1-7-23-14/h1-7,12H,8-10H2.
What are the key properties of 2-(4-fluorophenyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone has a molecular weight of 327.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 71784474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).