2-phenyl-5-(1-piperidin-4-yltriazol-4-yl)-1,3,4-oxadiazole

C15H16N6O — CID 53319382

IUPAC2-phenyl-5-(1-piperidin-4-yltriazol-4-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cn(C4CCNCC4)nn3)o2)cc1
InChIInChI=1S/C15H16N6O/c1-2-4-11(5-3-1)14-18-19-15(22-14)13-10-21(20-17-13)12-6-8-16-9-7-12/h1-5,10,12,16H,6-9H2
InChIKeySAXFHJKTFNTLAN-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.92
Rot. Bonds3

About 2-phenyl-5-(1-piperidin-4-yltriazol-4-yl)-1,3,4-oxadiazole

2-phenyl-5-(1-piperidin-4-yltriazol-4-yl)-1,3,4-oxadiazole (PubChem CID 53319382) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-phenyl-5-(1-piperidin-4-yltriazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-(1-piperidin-4-yltriazol-4-yl)-1,3,4-oxadiazole
PubChem CID53319382
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name2-phenyl-5-(1-piperidin-4-yltriazol-4-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cn(C4CCNCC4)nn3)o2)cc1
InChIInChI=1S/C15H16N6O/c1-2-4-11(5-3-1)14-18-19-15(22-14)13-10-21(20-17-13)12-6-8-16-9-7-12/h1-5,10,12,16H,6-9H2
InChIKeySAXFHJKTFNTLAN-UHFFFAOYSA-N
XLogP1.92
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(1-piperidin-4-yltriazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-(1-piperidin-4-yltriazol-4-yl)-1,3,4-oxadiazole (CID 53319382) is 2-phenyl-5-(1-piperidin-4-yltriazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-(1-piperidin-4-yltriazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-(1-piperidin-4-yltriazol-4-yl)-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3cn(C4CCNCC4)nn3)o2)cc1.
What is the InChIKey of 2-phenyl-5-(1-piperidin-4-yltriazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is SAXFHJKTFNTLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-2-4-11(5-3-1)14-18-19-15(22-14)13-10-21(20-17-13)12-6-8-16-9-7-12/h1-5,10,12,16H,6-9H2.
What are the key properties of 2-phenyl-5-(1-piperidin-4-yltriazol-4-yl)-1,3,4-oxadiazole?
2-phenyl-5-(1-piperidin-4-yltriazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 296.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(1-piperidin-4-yltriazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 53319382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).