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

C18H16N6O — CID 29133687

IUPAC2-(1-phenyl-5-propan-2-yltriazol-4-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCC(C)c1c(-c2nnc(-c3cccnc3)o2)nnn1-c1ccccc1
InChIInChI=1S/C18H16N6O/c1-12(2)16-15(20-23-24(16)14-8-4-3-5-9-14)18-22-21-17(25-18)13-7-6-10-19-11-13/h3-12H,1-2H3
InChIKeyQBGVUDIQILCSTG-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.50
Rot. Bonds4

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

2-(1-phenyl-5-propan-2-yltriazol-4-yl)-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 29133687) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-(1-phenyl-5-propan-2-yltriazol-4-yl)-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-phenyl-5-propan-2-yltriazol-4-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID29133687
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name2-(1-phenyl-5-propan-2-yltriazol-4-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCC(C)c1c(-c2nnc(-c3cccnc3)o2)nnn1-c1ccccc1
InChIInChI=1S/C18H16N6O/c1-12(2)16-15(20-23-24(16)14-8-4-3-5-9-14)18-22-21-17(25-18)13-7-6-10-19-11-13/h3-12H,1-2H3
InChIKeyQBGVUDIQILCSTG-UHFFFAOYSA-N
XLogP3.50
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyl-5-propan-2-yltriazol-4-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-phenyl-5-propan-2-yltriazol-4-yl)-5-pyridin-3-yl-1,3,4-oxadiazole (CID 29133687) is 2-(1-phenyl-5-propan-2-yltriazol-4-yl)-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-phenyl-5-propan-2-yltriazol-4-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-phenyl-5-propan-2-yltriazol-4-yl)-5-pyridin-3-yl-1,3,4-oxadiazole is CC(C)c1c(-c2nnc(-c3cccnc3)o2)nnn1-c1ccccc1.
What is the InChIKey of 2-(1-phenyl-5-propan-2-yltriazol-4-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is QBGVUDIQILCSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-12(2)16-15(20-23-24(16)14-8-4-3-5-9-14)18-22-21-17(25-18)13-7-6-10-19-11-13/h3-12H,1-2H3.
What are the key properties of 2-(1-phenyl-5-propan-2-yltriazol-4-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
2-(1-phenyl-5-propan-2-yltriazol-4-yl)-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 332.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyl-5-propan-2-yltriazol-4-yl)-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 29133687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).