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

C16H14N2O — CID 58508616

IUPAC2-(3-benzyl-4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnco2)cc1Cc1ccccc1
InChIInChI=1S/C16H14N2O/c1-12-7-8-14(16-18-17-11-19-16)10-15(12)9-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3
InChIKeyDRICVIFUMSXNQW-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.64
Rot. Bonds3

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

2-(3-benzyl-4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 58508616) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(3-benzyl-4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-benzyl-4-methylphenyl)-1,3,4-oxadiazole
PubChem CID58508616
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2-(3-benzyl-4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnco2)cc1Cc1ccccc1
InChIInChI=1S/C16H14N2O/c1-12-7-8-14(16-18-17-11-19-16)10-15(12)9-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3
InChIKeyDRICVIFUMSXNQW-UHFFFAOYSA-N
XLogP3.64
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-benzyl-4-methylphenyl)-1,3,4-oxadiazole (CID 58508616) is 2-(3-benzyl-4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-benzyl-4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-benzyl-4-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnco2)cc1Cc1ccccc1.
What is the InChIKey of 2-(3-benzyl-4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is DRICVIFUMSXNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-12-7-8-14(16-18-17-11-19-16)10-15(12)9-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3.
What are the key properties of 2-(3-benzyl-4-methylphenyl)-1,3,4-oxadiazole?
2-(3-benzyl-4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 250.30 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 58508616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).