(3,5-difluorophenyl)-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone

C19H15F2N3O3 — CID 87052290

IUPAC(3,5-difluorophenyl)-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
SMILESCOc1ccc(-c2nc(C3CN(C(=O)c4cc(F)cc(F)c4)C3)no2)cc1
InChIInChI=1S/C19H15F2N3O3/c1-26-16-4-2-11(3-5-16)18-22-17(23-27-18)13-9-24(10-13)19(25)12-6-14(20)8-15(21)7-12/h2-8,13H,9-10H2,1H3
InChIKeyAVACTACGAJWISX-UHFFFAOYSA-N
MW371.34 g/mol
LogP3.26
Rot. Bonds4

About (3,5-difluorophenyl)-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone

(3,5-difluorophenyl)-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone (PubChem CID 87052290) has the molecular formula C19H15F2N3O3 and a molecular weight of 371.34 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
PubChem CID87052290
Molecular FormulaC19H15F2N3O3
Molecular Weight371.34 g/mol
Exact Mass371.11
IUPAC Name(3,5-difluorophenyl)-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
SMILESCOc1ccc(-c2nc(C3CN(C(=O)c4cc(F)cc(F)c4)C3)no2)cc1
InChIInChI=1S/C19H15F2N3O3/c1-26-16-4-2-11(3-5-16)18-22-17(23-27-18)13-9-24(10-13)19(25)12-6-14(20)8-15(21)7-12/h2-8,13H,9-10H2,1H3
InChIKeyAVACTACGAJWISX-UHFFFAOYSA-N
XLogP3.26
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-difluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 53121835
5-(4-methoxyphenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015385
(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615785
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 3553771
[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone
CID 75474719
[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 128973649
[5-(4-methoxyphenyl)-1,2-dimethylpyrrol-3-yl]-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 91915246
[3-(4-fluorophenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-(4-methoxyphenyl)methanone
CID 71448329
2-(4-fluorophenoxy)-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 91905654
5-(4-methoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916010
1-[(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]butan-1-one
CID 97345130
(3-fluorophenyl)-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97345107

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone (CID 87052290) is (3,5-difluorophenyl)-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone is COc1ccc(-c2nc(C3CN(C(=O)c4cc(F)cc(F)c4)C3)no2)cc1.
What is the InChIKey of (3,5-difluorophenyl)-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone?
The InChIKey is AVACTACGAJWISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3/c1-26-16-4-2-11(3-5-16)18-22-17(23-27-18)13-9-24(10-13)19(25)12-6-14(20)8-15(21)7-12/h2-8,13H,9-10H2,1H3.
What are the key properties of (3,5-difluorophenyl)-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone?
(3,5-difluorophenyl)-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone has a molecular weight of 371.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 87052290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).