2-butyl-1,3,4-oxadiazole

C6H10N2O — CID 10701836

IUPAC2-butyl-1,3,4-oxadiazole
SMILESCCCCc1nnco1
InChIInChI=1S/C6H10N2O/c1-2-3-4-6-8-7-5-9-6/h5H,2-4H2,1H3
InChIKeyXHCHMADWQJKRLU-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.41
Rot. Bonds3

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

2-butyl-1,3,4-oxadiazole (PubChem CID 10701836) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-butyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-butyl-1,3,4-oxadiazole
PubChem CID10701836
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-butyl-1,3,4-oxadiazole
SMILESCCCCc1nnco1
InChIInChI=1S/C6H10N2O/c1-2-3-4-6-8-7-5-9-6/h5H,2-4H2,1H3
InChIKeyXHCHMADWQJKRLU-UHFFFAOYSA-N
XLogP1.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3,4-oxadiazole?
The IUPAC name of 2-butyl-1,3,4-oxadiazole (CID 10701836) is 2-butyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-butyl-1,3,4-oxadiazole?
The canonical SMILES for 2-butyl-1,3,4-oxadiazole is CCCCc1nnco1.
What is the InChIKey of 2-butyl-1,3,4-oxadiazole?
The InChIKey is XHCHMADWQJKRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-3-4-6-8-7-5-9-6/h5H,2-4H2,1H3.
What are the key properties of 2-butyl-1,3,4-oxadiazole?
2-butyl-1,3,4-oxadiazole has a molecular weight of 126.16 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3,4-oxadiazole is sourced from PubChem (CID 10701836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).