2,5-diethyl-1,3,4-oxadiazole

C6H10N2O — CID 11029848

IUPAC2,5-diethyl-1,3,4-oxadiazole
SMILESCCc1nnc(CC)o1
InChIInChI=1S/C6H10N2O/c1-3-5-7-8-6(4-2)9-5/h3-4H2,1-2H3
InChIKeyGDHAVOCWGPYRCQ-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.19
Rot. Bonds2

About 2,5-diethyl-1,3,4-oxadiazole

2,5-diethyl-1,3,4-oxadiazole (PubChem CID 11029848) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2,5-diethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-diethyl-1,3,4-oxadiazole
PubChem CID11029848
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2,5-diethyl-1,3,4-oxadiazole
SMILESCCc1nnc(CC)o1
InChIInChI=1S/C6H10N2O/c1-3-5-7-8-6(4-2)9-5/h3-4H2,1-2H3
InChIKeyGDHAVOCWGPYRCQ-UHFFFAOYSA-N
XLogP1.19
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1,3,4-oxadiazole?
The IUPAC name of 2,5-diethyl-1,3,4-oxadiazole (CID 11029848) is 2,5-diethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-diethyl-1,3,4-oxadiazole?
The canonical SMILES for 2,5-diethyl-1,3,4-oxadiazole is CCc1nnc(CC)o1.
What is the InChIKey of 2,5-diethyl-1,3,4-oxadiazole?
The InChIKey is GDHAVOCWGPYRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-5-7-8-6(4-2)9-5/h3-4H2,1-2H3.
What are the key properties of 2,5-diethyl-1,3,4-oxadiazole?
2,5-diethyl-1,3,4-oxadiazole has a molecular weight of 126.16 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1,3,4-oxadiazole is sourced from PubChem (CID 11029848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).