2-benzyl-5-propan-2-yl-1,3,4-oxadiazole

C12H14N2O — CID 14949003

IUPAC2-benzyl-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C12H14N2O/c1-9(2)12-14-13-11(15-12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyLVELFRXUGGMPSQ-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.78
Rot. Bonds3

About 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole

2-benzyl-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 14949003) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID14949003
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-benzyl-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C12H14N2O/c1-9(2)12-14-13-11(15-12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyLVELFRXUGGMPSQ-UHFFFAOYSA-N
XLogP2.78
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole (CID 14949003) is 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(Cc2ccccc2)o1.
What is the InChIKey of 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is LVELFRXUGGMPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9(2)12-14-13-11(15-12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole?
2-benzyl-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 202.26 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 14949003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).