(2-phenylphenyl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone

C25H18F3N3O3 — CID 86267906

IUPAC(2-phenylphenyl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
SMILESO=C(c1ccccc1-c1ccccc1)N1CC[C@H]1c1nc(-c2ccccc2OC(F)(F)F)no1
InChIInChI=1S/C25H18F3N3O3/c26-25(27,28)33-21-13-7-6-12-19(21)22-29-23(34-30-22)20-14-15-31(20)24(32)18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-13,20H,14-15H2/t20-/m0/s1
InChIKeyWJAVKAMJLUFNGC-FQEVSTJZSA-N
MW465.43 g/mol
LogP5.89
Rot. Bonds5

About (2-phenylphenyl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone

(2-phenylphenyl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (PubChem CID 86267906) has the molecular formula C25H18F3N3O3 and a molecular weight of 465.43 g/mol. Its IUPAC name is (2-phenylphenyl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-phenylphenyl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
PubChem CID86267906
Molecular FormulaC25H18F3N3O3
Molecular Weight465.43 g/mol
Exact Mass465.13
IUPAC Name(2-phenylphenyl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
SMILESO=C(c1ccccc1-c1ccccc1)N1CC[C@H]1c1nc(-c2ccccc2OC(F)(F)F)no1
InChIInChI=1S/C25H18F3N3O3/c26-25(27,28)33-21-13-7-6-12-19(21)22-29-23(34-30-22)20-14-15-31(20)24(32)18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-13,20H,14-15H2/t20-/m0/s1
InChIKeyWJAVKAMJLUFNGC-FQEVSTJZSA-N
XLogP5.89
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.43
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-phenylphenyl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The IUPAC name of (2-phenylphenyl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (CID 86267906) is (2-phenylphenyl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.
What is the SMILES notation for (2-phenylphenyl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The canonical SMILES for (2-phenylphenyl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is O=C(c1ccccc1-c1ccccc1)N1CC[C@H]1c1nc(-c2ccccc2OC(F)(F)F)no1.
What is the InChIKey of (2-phenylphenyl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The InChIKey is WJAVKAMJLUFNGC-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H18F3N3O3/c26-25(27,28)33-21-13-7-6-12-19(21)22-29-23(34-30-22)20-14-15-31(20)24(32)18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-13,20H,14-15H2/t20-/m0/s1.
What are the key properties of (2-phenylphenyl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
(2-phenylphenyl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone has a molecular weight of 465.43 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenyl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 86267906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).