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

C22H19ClN6O2 — CID 52916697

IUPAC(4-chlorophenyl)-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(n2cc(-c3noc(-c4ccccc4)n3)nn2)CC1
InChIInChI=1S/C22H19ClN6O2/c23-17-8-6-16(7-9-17)22(30)28-12-10-18(11-13-28)29-14-19(25-27-29)20-24-21(31-26-20)15-4-2-1-3-5-15/h1-9,14,18H,10-13H2
InChIKeyAEMNTYRKUDDBAF-UHFFFAOYSA-N
MW434.89 g/mol
LogP4.13
Rot. Bonds4

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

(4-chlorophenyl)-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 52916697) has the molecular formula C22H19ClN6O2 and a molecular weight of 434.89 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID52916697
Molecular FormulaC22H19ClN6O2
Molecular Weight434.89 g/mol
Exact Mass434.13
IUPAC Name(4-chlorophenyl)-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(n2cc(-c3noc(-c4ccccc4)n3)nn2)CC1
InChIInChI=1S/C22H19ClN6O2/c23-17-8-6-16(7-9-17)22(30)28-12-10-18(11-13-28)29-14-19(25-27-29)20-24-21(31-26-20)15-4-2-1-3-5-15/h1-9,14,18H,10-13H2
InChIKeyAEMNTYRKUDDBAF-UHFFFAOYSA-N
XLogP4.13
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.89
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone (CID 52916697) is (4-chlorophenyl)-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC(n2cc(-c3noc(-c4ccccc4)n3)nn2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is AEMNTYRKUDDBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O2/c23-17-8-6-16(7-9-17)22(30)28-12-10-18(11-13-28)29-14-19(25-27-29)20-24-21(31-26-20)15-4-2-1-3-5-15/h1-9,14,18H,10-13H2.
What are the key properties of (4-chlorophenyl)-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 434.89 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 52916697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).