2-benzyl-1,3,4-oxadiazole

C9H8N2O — CID 4691431

IUPAC2-benzyl-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnco2)cc1
InChIInChI=1S/C9H8N2O/c1-2-4-8(5-3-1)6-9-11-10-7-12-9/h1-5,7H,6H2
InChIKeyQBXCAUWVKMECDN-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.66
Rot. Bonds2

About 2-benzyl-1,3,4-oxadiazole

2-benzyl-1,3,4-oxadiazole (PubChem CID 4691431) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-benzyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-1,3,4-oxadiazole
PubChem CID4691431
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2-benzyl-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnco2)cc1
InChIInChI=1S/C9H8N2O/c1-2-4-8(5-3-1)6-9-11-10-7-12-9/h1-5,7H,6H2
InChIKeyQBXCAUWVKMECDN-UHFFFAOYSA-N
XLogP1.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3,4-Oxadiazol-2-yl)-7-phenylheptan-1-one
CID 24950841
5-Benzyl-1,3,4-oxadiazol-2-amine
CID 2756634
2-Benzyl-5-(3-phenylpropyl)-1,3,4-oxadiazole
CID 145962106
2-Benzyl-5-bromo-1,3,4-oxadiazole
CID 82292416
2-[(4-Fluorophenyl)methyl]-5-(3-phenylpropyl)-1,3,4-oxadiazole
CID 145962791
2-Benzyl-5-methyl-1,3,4-oxadiazole
CID 13004919
2-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-1,3,4-oxadiazole
CID 66524078
2-Chloro-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 82284309
2-(4-Fluorobenzyl)-5-methoxy-1,3,4-oxadiazole
CID 138961433
2-Benzyl-5-(ethylsulfanyl)-1,3,4-oxadiazole
CID 2304514
2-(4-Methyl-2-phenyl-4-cyclohexen-1-yl)[1,3,4]oxadiazole
CID 3613626
2-Phenethyl-1,3,4-oxadiazole
CID 927078

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-1,3,4-oxadiazole (CID 4691431) is 2-benzyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-1,3,4-oxadiazole is c1ccc(Cc2nnco2)cc1.
What is the InChIKey of 2-benzyl-1,3,4-oxadiazole?
The InChIKey is QBXCAUWVKMECDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-2-4-8(5-3-1)6-9-11-10-7-12-9/h1-5,7H,6H2.
What are the key properties of 2-benzyl-1,3,4-oxadiazole?
2-benzyl-1,3,4-oxadiazole has a molecular weight of 160.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3,4-oxadiazole is sourced from PubChem (CID 4691431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).