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

C14H11N3O — CID 763864

IUPAC5-(4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3cccnc3)no2)cc1
InChIInChI=1S/C14H11N3O/c1-10-4-6-11(7-5-10)14-16-13(17-18-14)12-3-2-8-15-9-12/h2-9H,1H3
InChIKeyFONOUOJTRFKLOG-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.11
Rot. Bonds2

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

5-(4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 763864) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID763864
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name5-(4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3cccnc3)no2)cc1
InChIInChI=1S/C14H11N3O/c1-10-4-6-11(7-5-10)14-16-13(17-18-14)12-3-2-8-15-9-12/h2-9H,1H3
InChIKeyFONOUOJTRFKLOG-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 5-(4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole (CID 763864) is 5-(4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole is Cc1ccc(-c2nc(-c3cccnc3)no2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is FONOUOJTRFKLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-10-4-6-11(7-5-10)14-16-13(17-18-14)12-3-2-8-15-9-12/h2-9H,1H3.
What are the key properties of 5-(4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
5-(4-methylphenyl)-3-pyridin-3-yl-1,2,4-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 5-(4-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 763864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).