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

C22H15F3N4O3S — CID 90422843

IUPAC(5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
SMILESO=C(c1ncsc1-c1ccccc1)N1CC[C@H]1c1nc(-c2ccccc2OC(F)(F)F)no1
InChIInChI=1S/C22H15F3N4O3S/c23-22(24,25)31-16-9-5-4-8-14(16)19-27-20(32-28-19)15-10-11-29(15)21(30)17-18(33-12-26-17)13-6-2-1-3-7-13/h1-9,12,15H,10-11H2/t15-/m0/s1
InChIKeyALXCWDVFYSQRAO-HNNXBMFYSA-N
MW472.45 g/mol
LogP5.35
Rot. Bonds5

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

(5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (PubChem CID 90422843) has the molecular formula C22H15F3N4O3S and a molecular weight of 472.45 g/mol. Its IUPAC name is (5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
PubChem CID90422843
Molecular FormulaC22H15F3N4O3S
Molecular Weight472.45 g/mol
Exact Mass472.08
IUPAC Name(5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
SMILESO=C(c1ncsc1-c1ccccc1)N1CC[C@H]1c1nc(-c2ccccc2OC(F)(F)F)no1
InChIInChI=1S/C22H15F3N4O3S/c23-22(24,25)31-16-9-5-4-8-14(16)19-27-20(32-28-19)15-10-11-29(15)21(30)17-18(33-12-26-17)13-6-2-1-3-7-13/h1-9,12,15H,10-11H2/t15-/m0/s1
InChIKeyALXCWDVFYSQRAO-HNNXBMFYSA-N
XLogP5.35
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.45
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-phenylphenyl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 86267906
(5-methyl-2-phenylphenyl)-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 90422633
[(2S)-2-[3-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 134154494
[(2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95057587
(2-methoxyphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 53039319
5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 54883856
phenyl-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 92573988
(4-fluorophenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813072
[(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95057584
[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-phenylmethanone
CID 91888614
[3,5-bis(trifluoromethyl)phenyl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 5012942
[(2S)-2-[3-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 90422950

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The IUPAC name of (5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (CID 90422843) is (5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.
What is the SMILES notation for (5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The canonical SMILES for (5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is O=C(c1ncsc1-c1ccccc1)N1CC[C@H]1c1nc(-c2ccccc2OC(F)(F)F)no1.
What is the InChIKey of (5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The InChIKey is ALXCWDVFYSQRAO-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H15F3N4O3S/c23-22(24,25)31-16-9-5-4-8-14(16)19-27-20(32-28-19)15-10-11-29(15)21(30)17-18(33-12-26-17)13-6-2-1-3-7-13/h1-9,12,15H,10-11H2/t15-/m0/s1.
What are the key properties of (5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
(5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone has a molecular weight of 472.45 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-thiazol-4-yl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 90422843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).