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

C6H12N2O — CID 146490079

IUPAC3-ethyl-4,5-dimethyl-5H-1,2,4-oxadiazole
SMILESCCC1=NOC(C)N1C
InChIInChI=1S/C6H12N2O/c1-4-6-7-9-5(2)8(6)3/h5H,4H2,1-3H3
InChIKeyIDYAWTXAWPCIGI-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.02
Rot. Bonds1

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

3-ethyl-4,5-dimethyl-5H-1,2,4-oxadiazole (PubChem CID 146490079) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-ethyl-4,5-dimethyl-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-4,5-dimethyl-5H-1,2,4-oxadiazole
PubChem CID146490079
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name3-ethyl-4,5-dimethyl-5H-1,2,4-oxadiazole
SMILESCCC1=NOC(C)N1C
InChIInChI=1S/C6H12N2O/c1-4-6-7-9-5(2)8(6)3/h5H,4H2,1-3H3
InChIKeyIDYAWTXAWPCIGI-UHFFFAOYSA-N
XLogP1.02
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-dimethyl-5H-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-4,5-dimethyl-5H-1,2,4-oxadiazole (CID 146490079) is 3-ethyl-4,5-dimethyl-5H-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-4,5-dimethyl-5H-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-4,5-dimethyl-5H-1,2,4-oxadiazole is CCC1=NOC(C)N1C.
What is the InChIKey of 3-ethyl-4,5-dimethyl-5H-1,2,4-oxadiazole?
The InChIKey is IDYAWTXAWPCIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-6-7-9-5(2)8(6)3/h5H,4H2,1-3H3.
What are the key properties of 3-ethyl-4,5-dimethyl-5H-1,2,4-oxadiazole?
3-ethyl-4,5-dimethyl-5H-1,2,4-oxadiazole has a molecular weight of 128.17 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-dimethyl-5H-1,2,4-oxadiazole is sourced from PubChem (CID 146490079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).