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

C18H12Cl2FN3O2 — CID 121095280

IUPAC(2-chloro-4-fluorophenyl)-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1
InChIInChI=1S/C18H12Cl2FN3O2/c19-12-3-1-2-10(6-12)16-22-17(26-23-16)11-8-24(9-11)18(25)14-5-4-13(21)7-15(14)20/h1-7,11H,8-9H2
InChIKeyUBPBDGTYGWTLOR-UHFFFAOYSA-N
MW392.22 g/mol
LogP4.42
Rot. Bonds3

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

(2-chloro-4-fluorophenyl)-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (PubChem CID 121095280) has the molecular formula C18H12Cl2FN3O2 and a molecular weight of 392.22 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
PubChem CID121095280
Molecular FormulaC18H12Cl2FN3O2
Molecular Weight392.22 g/mol
Exact Mass391.03
IUPAC Name(2-chloro-4-fluorophenyl)-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1
InChIInChI=1S/C18H12Cl2FN3O2/c19-12-3-1-2-10(6-12)16-22-17(26-23-16)11-8-24(9-11)18(25)14-5-4-13(21)7-15(14)20/h1-7,11H,8-9H2
InChIKeyUBPBDGTYGWTLOR-UHFFFAOYSA-N
XLogP4.42
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.22
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095143
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56764561
3-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]benzonitrile
CID 121095304
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenoxyphenyl)methanone
CID 121095297
(3-chlorophenyl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121095643
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]butan-1-one
CID 121095144
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylazetidine-1-carboxamide
CID 121095485
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 121095124
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 71456522
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-3,3-diphenylpropan-1-one
CID 121095249
[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 7216459
1-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 42760505

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (CID 121095280) is (2-chloro-4-fluorophenyl)-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is O=C(c1ccc(F)cc1Cl)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The InChIKey is UBPBDGTYGWTLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FN3O2/c19-12-3-1-2-10(6-12)16-22-17(26-23-16)11-8-24(9-11)18(25)14-5-4-13(21)7-15(14)20/h1-7,11H,8-9H2.
What are the key properties of (2-chloro-4-fluorophenyl)-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
(2-chloro-4-fluorophenyl)-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone has a molecular weight of 392.22 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 121095280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).