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

C25H20FN3O4 — CID 91905476

IUPAC2-(4-fluorophenoxy)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone
SMILESO=C(COc1ccc(F)cc1)N1CC(Oc2ccc(-c3nc(-c4ccccc4)no3)cc2)C1
InChIInChI=1S/C25H20FN3O4/c26-19-8-12-20(13-9-19)31-16-23(30)29-14-22(15-29)32-21-10-6-18(7-11-21)25-27-24(28-33-25)17-4-2-1-3-5-17/h1-13,22H,14-16H2
InChIKeyNELIWJSOTACQFO-UHFFFAOYSA-N
MW445.45 g/mol
LogP4.21
Rot. Bonds7

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

2-(4-fluorophenoxy)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone (PubChem CID 91905476) has the molecular formula C25H20FN3O4 and a molecular weight of 445.45 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone
PubChem CID91905476
Molecular FormulaC25H20FN3O4
Molecular Weight445.45 g/mol
Exact Mass445.14
IUPAC Name2-(4-fluorophenoxy)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone
SMILESO=C(COc1ccc(F)cc1)N1CC(Oc2ccc(-c3nc(-c4ccccc4)no3)cc2)C1
InChIInChI=1S/C25H20FN3O4/c26-19-8-12-20(13-9-19)31-16-23(30)29-14-22(15-29)32-21-10-6-18(7-11-21)25-27-24(28-33-25)17-4-2-1-3-5-17/h1-13,22H,14-16H2
InChIKeyNELIWJSOTACQFO-UHFFFAOYSA-N
XLogP4.21
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone (CID 91905476) is 2-(4-fluorophenoxy)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone is O=C(COc1ccc(F)cc1)N1CC(Oc2ccc(-c3nc(-c4ccccc4)no3)cc2)C1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone?
The InChIKey is NELIWJSOTACQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O4/c26-19-8-12-20(13-9-19)31-16-23(30)29-14-22(15-29)32-21-10-6-18(7-11-21)25-27-24(28-33-25)17-4-2-1-3-5-17/h1-13,22H,14-16H2.
What are the key properties of 2-(4-fluorophenoxy)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone?
2-(4-fluorophenoxy)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone has a molecular weight of 445.45 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone is sourced from PubChem (CID 91905476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).