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

C23H22FN3O4 — CID 91920028

IUPAC(3-fluorophenyl)-[3-[4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]azetidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CC(Oc2ccc(-c3noc(C4CCOCC4)n3)cc2)C1
InChIInChI=1S/C23H22FN3O4/c24-18-3-1-2-17(12-18)23(28)27-13-20(14-27)30-19-6-4-15(5-7-19)21-25-22(31-26-21)16-8-10-29-11-9-16/h1-7,12,16,20H,8-11,13-14H2
InChIKeyMJSQRNOEJXANEF-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.67
Rot. Bonds5

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

(3-fluorophenyl)-[3-[4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]azetidin-1-yl]methanone (PubChem CID 91920028) has the molecular formula C23H22FN3O4 and a molecular weight of 423.44 g/mol. Its IUPAC name is (3-fluorophenyl)-[3-[4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[3-[4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]azetidin-1-yl]methanone
PubChem CID91920028
Molecular FormulaC23H22FN3O4
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC Name(3-fluorophenyl)-[3-[4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]azetidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CC(Oc2ccc(-c3noc(C4CCOCC4)n3)cc2)C1
InChIInChI=1S/C23H22FN3O4/c24-18-3-1-2-17(12-18)23(28)27-13-20(14-27)30-19-6-4-15(5-7-19)21-25-22(31-26-21)16-8-10-29-11-9-16/h1-7,12,16,20H,8-11,13-14H2
InChIKeyMJSQRNOEJXANEF-UHFFFAOYSA-N
XLogP3.67
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53032681
1-[3-[4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]azetidin-1-yl]-2-thiophen-2-ylethanone
CID 91920029
(3-fluorophenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226144
[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 50925897
3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-5-(oxan-4-yl)-1,2,4-oxadiazole
CID 71618338
(3-fluorophenyl)-[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 7236954
(3-fluorophenyl)-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226227
(4-fluorophenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
CID 91905542
[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 1456239
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-nitrophenyl)methanone
CID 4010347
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4000498
4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide
CID 53131838

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[3-[4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]azetidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[3-[4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]azetidin-1-yl]methanone (CID 91920028) is (3-fluorophenyl)-[3-[4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]azetidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[3-[4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]azetidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[3-[4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]azetidin-1-yl]methanone is O=C(c1cccc(F)c1)N1CC(Oc2ccc(-c3noc(C4CCOCC4)n3)cc2)C1.
What is the InChIKey of (3-fluorophenyl)-[3-[4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]azetidin-1-yl]methanone?
The InChIKey is MJSQRNOEJXANEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4/c24-18-3-1-2-17(12-18)23(28)27-13-20(14-27)30-19-6-4-15(5-7-19)21-25-22(31-26-21)16-8-10-29-11-9-16/h1-7,12,16,20H,8-11,13-14H2.
What are the key properties of (3-fluorophenyl)-[3-[4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]azetidin-1-yl]methanone?
(3-fluorophenyl)-[3-[4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]azetidin-1-yl]methanone has a molecular weight of 423.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[3-[4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 91920028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).