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

C22H19FN6O2 — CID 91908543

IUPAC(3-fluorophenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)C1
InChIInChI=1S/C22H19FN6O2/c23-17-9-4-8-16(12-17)22(30)28-11-5-10-18(13-28)29-14-19(25-27-29)21-24-20(26-31-21)15-6-2-1-3-7-15/h1-4,6-9,12,14,18H,5,10-11,13H2
InChIKeyGFGFZQVDQDFCDX-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.61
Rot. Bonds4

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

(3-fluorophenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 91908543) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is (3-fluorophenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID91908543
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name(3-fluorophenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)C1
InChIInChI=1S/C22H19FN6O2/c23-17-9-4-8-16(12-17)22(30)28-11-5-10-18(13-28)29-14-19(25-27-29)21-24-20(26-31-21)15-6-2-1-3-7-15/h1-4,6-9,12,14,18H,5,10-11,13H2
InChIKeyGFGFZQVDQDFCDX-UHFFFAOYSA-N
XLogP3.61
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (CID 91908543) is (3-fluorophenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)C1.
What is the InChIKey of (3-fluorophenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is GFGFZQVDQDFCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c23-17-9-4-8-16(12-17)22(30)28-11-5-10-18(13-28)29-14-19(25-27-29)21-24-20(26-31-21)15-6-2-1-3-7-15/h1-4,6-9,12,14,18H,5,10-11,13H2.
What are the key properties of (3-fluorophenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
(3-fluorophenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 418.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91908543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).