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

C25H20FN3O3 — CID 91905486

IUPAC2-(3-fluorophenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CC(Oc2ccc(-c3nc(-c4ccccc4)no3)cc2)C1
InChIInChI=1S/C25H20FN3O3/c26-20-8-4-5-17(13-20)14-23(30)29-15-22(16-29)31-21-11-9-19(10-12-21)25-27-24(28-32-25)18-6-2-1-3-7-18/h1-13,22H,14-16H2
InChIKeyIMNMVEAIWWCHNI-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.38
Rot. Bonds6

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

2-(3-fluorophenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone (PubChem CID 91905486) has the molecular formula C25H20FN3O3 and a molecular weight of 429.45 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone
PubChem CID91905486
Molecular FormulaC25H20FN3O3
Molecular Weight429.45 g/mol
Exact Mass429.15
IUPAC Name2-(3-fluorophenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CC(Oc2ccc(-c3nc(-c4ccccc4)no3)cc2)C1
InChIInChI=1S/C25H20FN3O3/c26-20-8-4-5-17(13-20)14-23(30)29-15-22(16-29)31-21-11-9-19(10-12-21)25-27-24(28-32-25)18-6-2-1-3-7-18/h1-13,22H,14-16H2
InChIKeyIMNMVEAIWWCHNI-UHFFFAOYSA-N
XLogP4.38
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone (CID 91905486) is 2-(3-fluorophenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone is O=C(Cc1cccc(F)c1)N1CC(Oc2ccc(-c3nc(-c4ccccc4)no3)cc2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone?
The InChIKey is IMNMVEAIWWCHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O3/c26-20-8-4-5-17(13-20)14-23(30)29-15-22(16-29)31-21-11-9-19(10-12-21)25-27-24(28-32-25)18-6-2-1-3-7-18/h1-13,22H,14-16H2.
What are the key properties of 2-(3-fluorophenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone has a molecular weight of 429.45 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone is sourced from PubChem (CID 91905486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).