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

C19H15F2N3O3 — CID 91905523

IUPAC(2,5-difluorophenyl)-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
SMILESCc1noc(-c2cccc(OC3CN(C(=O)c4cc(F)ccc4F)C3)c2)n1
InChIInChI=1S/C19H15F2N3O3/c1-11-22-18(27-23-11)12-3-2-4-14(7-12)26-15-9-24(10-15)19(25)16-8-13(20)5-6-17(16)21/h2-8,15H,9-10H2,1H3
InChIKeySLXYUKZKZNGBCG-UHFFFAOYSA-N
MW371.34 g/mol
LogP3.23
Rot. Bonds4

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

(2,5-difluorophenyl)-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone (PubChem CID 91905523) has the molecular formula C19H15F2N3O3 and a molecular weight of 371.34 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
PubChem CID91905523
Molecular FormulaC19H15F2N3O3
Molecular Weight371.34 g/mol
Exact Mass371.11
IUPAC Name(2,5-difluorophenyl)-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
SMILESCc1noc(-c2cccc(OC3CN(C(=O)c4cc(F)ccc4F)C3)c2)n1
InChIInChI=1S/C19H15F2N3O3/c1-11-22-18(27-23-11)12-3-2-4-14(7-12)26-15-9-24(10-15)19(25)16-8-13(20)5-6-17(16)21/h2-8,15H,9-10H2,1H3
InChIKeySLXYUKZKZNGBCG-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone (CID 91905523) is (2,5-difluorophenyl)-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone is Cc1noc(-c2cccc(OC3CN(C(=O)c4cc(F)ccc4F)C3)c2)n1.
What is the InChIKey of (2,5-difluorophenyl)-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The InChIKey is SLXYUKZKZNGBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3/c1-11-22-18(27-23-11)12-3-2-4-14(7-12)26-15-9-24(10-15)19(25)16-8-13(20)5-6-17(16)21/h2-8,15H,9-10H2,1H3.
What are the key properties of (2,5-difluorophenyl)-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
(2,5-difluorophenyl)-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone has a molecular weight of 371.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 91905523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).