2-(4-methylphenyl)-1,3,4-oxadiazole

C9H8N2O — CID 713452

IUPAC2-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnco2)cc1
InChIInChI=1S/C9H8N2O/c1-7-2-4-8(5-3-7)9-11-10-6-12-9/h2-6H,1H3
InChIKeyZSAGZTDFXXUAOE-UHFFFAOYSA-N
MW160.18 g/mol
LogP2.05
Rot. Bonds1

About 2-(4-methylphenyl)-1,3,4-oxadiazole

2-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 713452) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID713452
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnco2)cc1
InChIInChI=1S/C9H8N2O/c1-7-2-4-8(5-3-7)9-11-10-6-12-9/h2-6H,1H3
InChIKeyZSAGZTDFXXUAOE-UHFFFAOYSA-N
XLogP2.05
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-1,3,4-oxadiazole (CID 713452) is 2-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnco2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is ZSAGZTDFXXUAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-7-2-4-8(5-3-7)9-11-10-6-12-9/h2-6H,1H3.
What are the key properties of 2-(4-methylphenyl)-1,3,4-oxadiazole?
2-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 160.18 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 713452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).