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

C23H23N3O4 — CID 91905554

IUPACoxan-4-yl-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CC(Oc2cccc(-c3nc(-c4ccccc4)no3)c2)C1
InChIInChI=1S/C23H23N3O4/c27-23(17-9-11-28-12-10-17)26-14-20(15-26)29-19-8-4-7-18(13-19)22-24-21(25-30-22)16-5-2-1-3-6-16/h1-8,13,17,20H,9-12,14-15H2
InChIKeyKKHXYMUUNJVJFY-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.42
Rot. Bonds5

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

oxan-4-yl-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone (PubChem CID 91905554) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is oxan-4-yl-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
PubChem CID91905554
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Nameoxan-4-yl-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CC(Oc2cccc(-c3nc(-c4ccccc4)no3)c2)C1
InChIInChI=1S/C23H23N3O4/c27-23(17-9-11-28-12-10-17)26-14-20(15-26)29-19-8-4-7-18(13-19)22-24-21(25-30-22)16-5-2-1-3-6-16/h1-8,13,17,20H,9-12,14-15H2
InChIKeyKKHXYMUUNJVJFY-UHFFFAOYSA-N
XLogP3.42
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The IUPAC name of oxan-4-yl-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone (CID 91905554) is oxan-4-yl-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone.
What is the SMILES notation for oxan-4-yl-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The canonical SMILES for oxan-4-yl-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone is O=C(C1CCOCC1)N1CC(Oc2cccc(-c3nc(-c4ccccc4)no3)c2)C1.
What is the InChIKey of oxan-4-yl-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The InChIKey is KKHXYMUUNJVJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c27-23(17-9-11-28-12-10-17)26-14-20(15-26)29-19-8-4-7-18(13-19)22-24-21(25-30-22)16-5-2-1-3-6-16/h1-8,13,17,20H,9-12,14-15H2.
What are the key properties of oxan-4-yl-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
oxan-4-yl-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone has a molecular weight of 405.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 91905554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).