3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole

C7H10N2O — CID 123960870

IUPAC3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole
SMILESCC=C(C)c1noc(C)n1
InChIInChI=1S/C7H10N2O/c1-4-5(2)7-8-6(3)10-9-7/h4H,1-3H3
InChIKeyOHTGRYHAELVXEA-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.80
Rot. Bonds1

About 3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole

3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole (PubChem CID 123960870) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole
PubChem CID123960870
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole
SMILESCC=C(C)c1noc(C)n1
InChIInChI=1S/C7H10N2O/c1-4-5(2)7-8-6(3)10-9-7/h4H,1-3H3
InChIKeyOHTGRYHAELVXEA-UHFFFAOYSA-N
XLogP1.80
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone
CID 90843715
3-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methyl-1,2,4-oxadiazole
CID 138534842
lithium 5-methyl-1,2,4-oxadiazole-3-carboxylate
CID 134690810
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one
CID 142391615
N,N-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethenamine
CID 123763792
4-(3-but-2-en-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 123592888
5-[(E)-but-2-en-2-yl]-3-methyl-1,2,4-oxadiazole
CID 89033738
methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate
CID 142609208
(E)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyrimidin-5-ylethenol
CID 168984105
3-[(3E,6Z)-8-fluoroocta-1,3,6-trien-4-yl]-5-methyl-1,2,4-oxadiazole
CID 142816300
3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide
CID 143084717
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955451

Frequently Asked Questions

What is the IUPAC name of 3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole (CID 123960870) is 3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole is CC=C(C)c1noc(C)n1.
What is the InChIKey of 3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole?
The InChIKey is OHTGRYHAELVXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-4-5(2)7-8-6(3)10-9-7/h4H,1-3H3.
What are the key properties of 3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole?
3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole has a molecular weight of 138.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 123960870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).