2-benzyl-5-propyl-1,3,4-oxadiazole

C12H14N2O — CID 14949002

IUPAC2-benzyl-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C12H14N2O/c1-2-6-11-13-14-12(15-11)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
InChIKeyZBZKMIBEEBWMLJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.61
Rot. Bonds4

About 2-benzyl-5-propyl-1,3,4-oxadiazole

2-benzyl-5-propyl-1,3,4-oxadiazole (PubChem CID 14949002) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-benzyl-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-propyl-1,3,4-oxadiazole
PubChem CID14949002
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-benzyl-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C12H14N2O/c1-2-6-11-13-14-12(15-11)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
InChIKeyZBZKMIBEEBWMLJ-UHFFFAOYSA-N
XLogP2.61
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-propyl-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-propyl-1,3,4-oxadiazole (CID 14949002) is 2-benzyl-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-propyl-1,3,4-oxadiazole is CCCc1nnc(Cc2ccccc2)o1.
What is the InChIKey of 2-benzyl-5-propyl-1,3,4-oxadiazole?
The InChIKey is ZBZKMIBEEBWMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-6-11-13-14-12(15-11)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3.
What are the key properties of 2-benzyl-5-propyl-1,3,4-oxadiazole?
2-benzyl-5-propyl-1,3,4-oxadiazole has a molecular weight of 202.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 14949002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).