2-(2-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole

C14H11N3O — CID 800022

IUPAC2-(2-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(-c2ccncc2)o1
InChIInChI=1S/C14H11N3O/c1-10-4-2-3-5-12(10)14-17-16-13(18-14)11-6-8-15-9-7-11/h2-9H,1H3
InChIKeyXAXIFEJDDFHXOZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.11
Rot. Bonds2

About 2-(2-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole

2-(2-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 800022) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID800022
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-(2-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(-c2ccncc2)o1
InChIInChI=1S/C14H11N3O/c1-10-4-2-3-5-12(10)14-17-16-13(18-14)11-6-8-15-9-7-11/h2-9H,1H3
InChIKeyXAXIFEJDDFHXOZ-UHFFFAOYSA-N
XLogP3.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole (CID 800022) is 2-(2-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole is Cc1ccccc1-c1nnc(-c2ccncc2)o1.
What is the InChIKey of 2-(2-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is XAXIFEJDDFHXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-10-4-2-3-5-12(10)14-17-16-13(18-14)11-6-8-15-9-7-11/h2-9H,1H3.
What are the key properties of 2-(2-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
2-(2-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 237.26 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 800022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).