2-(4-fluorophenyl)-1-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone

C23H21FN6O2 — CID 91892023

IUPAC2-(4-fluorophenyl)-1-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1
InChIInChI=1S/C23H21FN6O2/c24-18-8-6-16(7-9-18)14-21(31)29-12-10-19(11-13-29)30-15-20(26-28-30)23-25-22(27-32-23)17-4-2-1-3-5-17/h1-9,15,19H,10-14H2
InChIKeyRPPBBCSFOYIXNL-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.54
Rot. Bonds5

About 2-(4-fluorophenyl)-1-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 91892023) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone
PubChem CID91892023
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name2-(4-fluorophenyl)-1-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1
InChIInChI=1S/C23H21FN6O2/c24-18-8-6-16(7-9-18)14-21(31)29-12-10-19(11-13-29)30-15-20(26-28-30)23-25-22(27-32-23)17-4-2-1-3-5-17/h1-9,15,19H,10-14H2
InChIKeyRPPBBCSFOYIXNL-UHFFFAOYSA-N
XLogP3.54
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-Ethyl-N-{2-[5-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-5-methyl-2-(2H-1,2,3-triazol-2-yl)benzamide
CID 71007308
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
CID 72699855
N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide
CID 72700366
N-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72700462
1-(3,4-difluorobenzoyl)-4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidine
CID 91892062
(5-Fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)((2R,5R)-5-(4-(2-hydroxypropan-2-yl)-2H-1,2,3-triazol-2-yl)-2-methylpiperidin-1-yl)methanone
CID 121314080
2-{2-[(3R,6R)-1-{[4-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbonyl}-6-methylpiperidin-3-yl]-2H-1,2,3-triazol-4-yl}propan-2-ol
CID 121314133
1-(3,4-difluorobenzoyl)-4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidine
CID 91891845
5-{1-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-1H-1,2,3-triazol-4-yl}-3-methyl-1,2,4-oxadiazole
CID 91892154
3-cyclopropyl-5-{1-[1-(3,4-difluorobenzoyl)pyrrolidin-3-yl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole
CID 91892326
1-(3-Fluorobenzoyl)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-YL)-1H-1,2,3-triazol-1-YL]piperidine
CID 91908543
3-(2-methoxyethyl)-5-[1-(2-phenylethyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole
CID 56885021

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone (CID 91892023) is 2-(4-fluorophenyl)-1-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is RPPBBCSFOYIXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c24-18-8-6-16(7-9-18)14-21(31)29-12-10-19(11-13-29)30-15-20(26-28-30)23-25-22(27-32-23)17-4-2-1-3-5-17/h1-9,15,19H,10-14H2.
What are the key properties of 2-(4-fluorophenyl)-1-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 432.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91892023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).