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

C20H18FN3O2 — CID 50835169

IUPAC(4-fluorophenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(c2nnc(-c3ccccc3)o2)C1
InChIInChI=1S/C20H18FN3O2/c21-17-10-8-15(9-11-17)20(25)24-12-4-7-16(13-24)19-23-22-18(26-19)14-5-2-1-3-6-14/h1-3,5-6,8-11,16H,4,7,12-13H2
InChIKeyHMASSSKOJQBRHU-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.90
Rot. Bonds3

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

(4-fluorophenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 50835169) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID50835169
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name(4-fluorophenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(c2nnc(-c3ccccc3)o2)C1
InChIInChI=1S/C20H18FN3O2/c21-17-10-8-15(9-11-17)20(25)24-12-4-7-16(13-24)19-23-22-18(26-19)14-5-2-1-3-6-14/h1-3,5-6,8-11,16H,4,7,12-13H2
InChIKeyHMASSSKOJQBRHU-UHFFFAOYSA-N
XLogP3.90
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 50835169) is (4-fluorophenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCCC(c2nnc(-c3ccccc3)o2)C1.
What is the InChIKey of (4-fluorophenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is HMASSSKOJQBRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-17-10-8-15(9-11-17)20(25)24-12-4-7-16(13-24)19-23-22-18(26-19)14-5-2-1-3-6-14/h1-3,5-6,8-11,16H,4,7,12-13H2.
What are the key properties of (4-fluorophenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
(4-fluorophenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 351.38 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 50835169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).