2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone

C18H15FN4O2 — CID 92570901

IUPAC2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CC[C@H]1c1nc(-c2cccnc2)no1
InChIInChI=1S/C18H15FN4O2/c19-14-5-3-12(4-6-14)10-16(24)23-9-7-15(23)18-21-17(22-25-18)13-2-1-8-20-11-13/h1-6,8,11,15H,7,9-10H2/t15-/m0/s1
InChIKeyHJRIPPACKHPKCC-HNNXBMFYSA-N
MW338.34 g/mol
LogP2.79
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone (PubChem CID 92570901) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
PubChem CID92570901
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CC[C@H]1c1nc(-c2cccnc2)no1
InChIInChI=1S/C18H15FN4O2/c19-14-5-3-12(4-6-14)10-16(24)23-9-7-15(23)18-21-17(22-25-18)13-2-1-8-20-11-13/h1-6,8,11,15H,7,9-10H2/t15-/m0/s1
InChIKeyHJRIPPACKHPKCC-HNNXBMFYSA-N
XLogP2.79
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 92595473
2-(4-ethoxyphenyl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 110225003
2-(3-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 92599228
1-[(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95116564
phenyl-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 92573988
2-cyclopentyl-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 95110779
(3-propan-2-yl-1,2-oxazol-5-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 110225014
2-phenyl-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124625631
[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-thiophen-2-ylmethanone
CID 110225360
(5-propyl-1,2-oxazol-3-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 110225015
2-(2-chlorophenyl)-1-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 91906361
2-(4-methoxyphenyl)-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 125128716

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone (CID 92570901) is 2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CC[C@H]1c1nc(-c2cccnc2)no1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone?
The InChIKey is HJRIPPACKHPKCC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-14-5-3-12(4-6-14)10-16(24)23-9-7-15(23)18-21-17(22-25-18)13-2-1-8-20-11-13/h1-6,8,11,15H,7,9-10H2/t15-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone has a molecular weight of 338.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 92570901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).