2-[5-methyl-1-(4-propan-2-ylphenyl)triazol-4-yl]-5-pyridin-2-yl-1,3,4-oxadiazole

C19H18N6O — CID 29134937

IUPAC2-[5-methyl-1-(4-propan-2-ylphenyl)triazol-4-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(-c3ccccn3)o2)nnn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C19H18N6O/c1-12(2)14-7-9-15(10-8-14)25-13(3)17(21-24-25)19-23-22-18(26-19)16-6-4-5-11-20-16/h4-12H,1-3H3
InChIKeyONEJMIPQIDUREP-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.81
Rot. Bonds4

About 2-[5-methyl-1-(4-propan-2-ylphenyl)triazol-4-yl]-5-pyridin-2-yl-1,3,4-oxadiazole

2-[5-methyl-1-(4-propan-2-ylphenyl)triazol-4-yl]-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 29134937) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[5-methyl-1-(4-propan-2-ylphenyl)triazol-4-yl]-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-methyl-1-(4-propan-2-ylphenyl)triazol-4-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID29134937
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name2-[5-methyl-1-(4-propan-2-ylphenyl)triazol-4-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(-c3ccccn3)o2)nnn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C19H18N6O/c1-12(2)14-7-9-15(10-8-14)25-13(3)17(21-24-25)19-23-22-18(26-19)16-6-4-5-11-20-16/h4-12H,1-3H3
InChIKeyONEJMIPQIDUREP-UHFFFAOYSA-N
XLogP3.81
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-(4-propan-2-ylphenyl)triazol-4-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-methyl-1-(4-propan-2-ylphenyl)triazol-4-yl]-5-pyridin-2-yl-1,3,4-oxadiazole (CID 29134937) is 2-[5-methyl-1-(4-propan-2-ylphenyl)triazol-4-yl]-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-methyl-1-(4-propan-2-ylphenyl)triazol-4-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-methyl-1-(4-propan-2-ylphenyl)triazol-4-yl]-5-pyridin-2-yl-1,3,4-oxadiazole is Cc1c(-c2nnc(-c3ccccn3)o2)nnn1-c1ccc(C(C)C)cc1.
What is the InChIKey of 2-[5-methyl-1-(4-propan-2-ylphenyl)triazol-4-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is ONEJMIPQIDUREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-12(2)14-7-9-15(10-8-14)25-13(3)17(21-24-25)19-23-22-18(26-19)16-6-4-5-11-20-16/h4-12H,1-3H3.
What are the key properties of 2-[5-methyl-1-(4-propan-2-ylphenyl)triazol-4-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
2-[5-methyl-1-(4-propan-2-ylphenyl)triazol-4-yl]-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 346.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-1-(4-propan-2-ylphenyl)triazol-4-yl]-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 29134937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).