1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-2-phenylethanone

C20H19N3O3 — CID 91905505

IUPAC1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-2-phenylethanone
SMILESCc1noc(-c2cccc(OC3CN(C(=O)Cc4ccccc4)C3)c2)n1
InChIInChI=1S/C20H19N3O3/c1-14-21-20(26-22-14)16-8-5-9-17(11-16)25-18-12-23(13-18)19(24)10-15-6-3-2-4-7-15/h2-9,11,18H,10,12-13H2,1H3
InChIKeyFDKRYNUHGMZDBA-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.88
Rot. Bonds5

About 1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-2-phenylethanone

1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-2-phenylethanone (PubChem CID 91905505) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-2-phenylethanone
PubChem CID91905505
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-2-phenylethanone
SMILESCc1noc(-c2cccc(OC3CN(C(=O)Cc4ccccc4)C3)c2)n1
InChIInChI=1S/C20H19N3O3/c1-14-21-20(26-22-14)16-8-5-9-17(11-16)25-18-12-23(13-18)19(24)10-15-6-3-2-4-7-15/h2-9,11,18H,10,12-13H2,1H3
InChIKeyFDKRYNUHGMZDBA-UHFFFAOYSA-N
XLogP2.88
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-2-phenylethanone (CID 91905505) is 1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-2-phenylethanone is Cc1noc(-c2cccc(OC3CN(C(=O)Cc4ccccc4)C3)c2)n1.
What is the InChIKey of 1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-2-phenylethanone?
The InChIKey is FDKRYNUHGMZDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14-21-20(26-22-14)16-8-5-9-17(11-16)25-18-12-23(13-18)19(24)10-15-6-3-2-4-7-15/h2-9,11,18H,10,12-13H2,1H3.
What are the key properties of 1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-2-phenylethanone?
1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-2-phenylethanone has a molecular weight of 349.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 91905505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).