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

C18H16FN3O2S — CID 110243077

IUPAC(3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCCC(c2nnc(-c3cccs3)o2)C1
InChIInChI=1S/C18H16FN3O2S/c19-14-6-1-4-12(10-14)18(23)22-8-2-5-13(11-22)16-20-21-17(24-16)15-7-3-9-25-15/h1,3-4,6-7,9-10,13H,2,5,8,11H2
InChIKeyFECFHJMRKFNBHP-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.96
Rot. Bonds3

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

(3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110243077) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is (3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID110243077
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name(3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCCC(c2nnc(-c3cccs3)o2)C1
InChIInChI=1S/C18H16FN3O2S/c19-14-6-1-4-12(10-14)18(23)22-8-2-5-13(11-22)16-20-21-17(24-16)15-7-3-9-25-15/h1,3-4,6-7,9-10,13H,2,5,8,11H2
InChIKeyFECFHJMRKFNBHP-UHFFFAOYSA-N
XLogP3.96
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 110243077) is (3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCCC(c2nnc(-c3cccs3)o2)C1.
What is the InChIKey of (3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is FECFHJMRKFNBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c19-14-6-1-4-12(10-14)18(23)22-8-2-5-13(11-22)16-20-21-17(24-16)15-7-3-9-25-15/h1,3-4,6-7,9-10,13H,2,5,8,11H2.
What are the key properties of (3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
(3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 357.41 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110243077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).