[2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

C21H19FN2O2 — CID 70770427

IUPAC[2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)on1)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O2/c22-17-11-9-15(10-12-17)19-8-4-5-13-24(19)21(25)18-14-20(26-23-18)16-6-2-1-3-7-16/h1-3,6-7,9-12,14,19H,4-5,8,13H2
InChIKeyYAZHYVICILXTGD-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.85
Rot. Bonds3

About [2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

[2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 70770427) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is [2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
PubChem CID70770427
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name[2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)on1)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O2/c22-17-11-9-15(10-12-17)19-8-4-5-13-24(19)21(25)18-14-20(26-23-18)16-6-2-1-3-7-16/h1-3,6-7,9-12,14,19H,4-5,8,13H2
InChIKeyYAZHYVICILXTGD-UHFFFAOYSA-N
XLogP4.85
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-phenyl-1,2-oxazol-3-yl)-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95708141
(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 53001446
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanone
CID 92893531
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 146230052
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 94485262
[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanone
CID 92893649
[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 51855646
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46266463
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 61411316
[2-(4-fluorophenyl)morpholin-4-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 70743890
2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile
CID 146230062

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 70770427) is [2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2ccccc2)on1)N1CCCCC1c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The InChIKey is YAZHYVICILXTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c22-17-11-9-15(10-12-17)19-8-4-5-13-24(19)21(25)18-14-20(26-23-18)16-6-2-1-3-7-16/h1-3,6-7,9-12,14,19H,4-5,8,13H2.
What are the key properties of [2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
[2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 350.39 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 70770427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).