[3-[5-(2-ethenylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone

C23H22FN3O2 — CID 143331226

IUPAC[3-[5-(2-ethenylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
SMILESC=Cc1ccccc1-c1nc(C2CCCN(C(=O)c3ccc(F)cc3C)C2)no1
InChIInChI=1S/C23H22FN3O2/c1-3-16-7-4-5-9-20(16)22-25-21(26-29-22)17-8-6-12-27(14-17)23(28)19-11-10-18(24)13-15(19)2/h3-5,7,9-11,13,17H,1,6,8,12,14H2,2H3
InChIKeyCUIILODASGHRFU-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.85
Rot. Bonds4

About [3-[5-(2-ethenylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone

[3-[5-(2-ethenylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone (PubChem CID 143331226) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is [3-[5-(2-ethenylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[5-(2-ethenylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
PubChem CID143331226
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name[3-[5-(2-ethenylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
SMILESC=Cc1ccccc1-c1nc(C2CCCN(C(=O)c3ccc(F)cc3C)C2)no1
InChIInChI=1S/C23H22FN3O2/c1-3-16-7-4-5-9-20(16)22-25-21(26-29-22)17-8-6-12-27(14-17)23(28)19-11-10-18(24)13-15(19)2/h3-5,7,9-11,13,17H,1,6,8,12,14H2,2H3
InChIKeyCUIILODASGHRFU-UHFFFAOYSA-N
XLogP4.85
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-5-fluorophenyl)-[(3S)-3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 95094792
(4-fluoro-2-methylphenyl)-[3-[5-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone;(6-fluoro-3-pyridinyl)-[3-[5-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 158731136
(3,4-dimethoxyphenyl)-[(3R)-3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 95094815
[3-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
CID 59140444
(4-fluoro-2-methylphenyl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 141288566
(4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 115745859
1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103820449
(3-methyl-1,2-oxazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 16672677
(4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479438
(3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 68967446
[3-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 135428867
azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 130163592

Frequently Asked Questions

What is the IUPAC name of [3-[5-(2-ethenylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of [3-[5-(2-ethenylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone (CID 143331226) is [3-[5-(2-ethenylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for [3-[5-(2-ethenylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for [3-[5-(2-ethenylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone is C=Cc1ccccc1-c1nc(C2CCCN(C(=O)c3ccc(F)cc3C)C2)no1.
What is the InChIKey of [3-[5-(2-ethenylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is CUIILODASGHRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-3-16-7-4-5-9-20(16)22-25-21(26-29-22)17-8-6-12-27(14-17)23(28)19-11-10-18(24)13-15(19)2/h3-5,7,9-11,13,17H,1,6,8,12,14H2,2H3.
What are the key properties of [3-[5-(2-ethenylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone?
[3-[5-(2-ethenylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone has a molecular weight of 391.45 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(2-ethenylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 143331226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).