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

C4H6N2O — CID 4736391

IUPAC2,5-dimethyl-1,3,4-oxadiazole
SMILESCc1nnc(C)o1
InChIInChI=1S/C4H6N2O/c1-3-5-6-4(2)7-3/h1-2H3
InChIKeyYVDWFZIVIIKYBQ-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.69
Rot. Bonds

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

2,5-dimethyl-1,3,4-oxadiazole (PubChem CID 4736391) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-dimethyl-1,3,4-oxadiazole
PubChem CID4736391
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name2,5-dimethyl-1,3,4-oxadiazole
SMILESCc1nnc(C)o1
InChIInChI=1S/C4H6N2O/c1-3-5-6-4(2)7-3/h1-2H3
InChIKeyYVDWFZIVIIKYBQ-UHFFFAOYSA-N
XLogP0.69
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole?
The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole (CID 4736391) is 2,5-dimethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole?
The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole is Cc1nnc(C)o1.
What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole?
The InChIKey is YVDWFZIVIIKYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c1-3-5-6-4(2)7-3/h1-2H3.
What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole?
2,5-dimethyl-1,3,4-oxadiazole has a molecular weight of 98.10 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3,4-oxadiazole is sourced from PubChem (CID 4736391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).