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

C22H19FN6O2 — CID 91892042

IUPAC(4-fluorophenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1
InChIInChI=1S/C22H19FN6O2/c23-17-8-6-16(7-9-17)22(30)28-12-10-18(11-13-28)29-14-19(25-27-29)21-24-20(26-31-21)15-4-2-1-3-5-15/h1-9,14,18H,10-13H2
InChIKeyRRAYIRXSRAJDIQ-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.61
Rot. Bonds4

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

(4-fluorophenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 91892042) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID91892042
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name(4-fluorophenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1
InChIInChI=1S/C22H19FN6O2/c23-17-8-6-16(7-9-17)22(30)28-12-10-18(11-13-28)29-14-19(25-27-29)21-24-20(26-31-21)15-4-2-1-3-5-15/h1-9,14,18H,10-13H2
InChIKeyRRAYIRXSRAJDIQ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (CID 91892042) is (4-fluorophenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is RRAYIRXSRAJDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c23-17-8-6-16(7-9-17)22(30)28-12-10-18(11-13-28)29-14-19(25-27-29)21-24-20(26-31-21)15-4-2-1-3-5-15/h1-9,14,18H,10-13H2.
What are the key properties of (4-fluorophenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[4-[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 (4-fluorophenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91892042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).