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

C24H18FN3O3 — CID 91905542

IUPAC(4-fluorophenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CC(Oc2cccc(-c3nc(-c4ccccc4)no3)c2)C1
InChIInChI=1S/C24H18FN3O3/c25-19-11-9-17(10-12-19)24(29)28-14-21(15-28)30-20-8-4-7-18(13-20)23-26-22(27-31-23)16-5-2-1-3-6-16/h1-13,21H,14-15H2
InChIKeyMKIKIAHZJBILOV-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.45
Rot. Bonds5

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

(4-fluorophenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone (PubChem CID 91905542) has the molecular formula C24H18FN3O3 and a molecular weight of 415.42 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
PubChem CID91905542
Molecular FormulaC24H18FN3O3
Molecular Weight415.42 g/mol
Exact Mass415.13
IUPAC Name(4-fluorophenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CC(Oc2cccc(-c3nc(-c4ccccc4)no3)c2)C1
InChIInChI=1S/C24H18FN3O3/c25-19-11-9-17(10-12-19)24(29)28-14-21(15-28)30-20-8-4-7-18(13-20)23-26-22(27-31-23)16-5-2-1-3-6-16/h1-13,21H,14-15H2
InChIKeyMKIKIAHZJBILOV-UHFFFAOYSA-N
XLogP4.45
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone (CID 91905542) is (4-fluorophenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CC(Oc2cccc(-c3nc(-c4ccccc4)no3)c2)C1.
What is the InChIKey of (4-fluorophenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The InChIKey is MKIKIAHZJBILOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O3/c25-19-11-9-17(10-12-19)24(29)28-14-21(15-28)30-20-8-4-7-18(13-20)23-26-22(27-31-23)16-5-2-1-3-6-16/h1-13,21H,14-15H2.
What are the key properties of (4-fluorophenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
(4-fluorophenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone has a molecular weight of 415.42 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 91905542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).