5-[(E)-but-2-en-2-yl]-3-methyl-1,2,4-oxadiazole

C7H10N2O — CID 89033738

IUPAC5-[(E)-but-2-en-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESC/C=C(\C)c1nc(C)no1
InChIInChI=1S/C7H10N2O/c1-4-5(2)7-8-6(3)9-10-7/h4H,1-3H3/b5-4+
InChIKeyABVOHWGTUKSNSA-SNAWJCMRSA-N
MW138.17 g/mol
LogP1.80
Rot. Bonds1

About 5-[(E)-but-2-en-2-yl]-3-methyl-1,2,4-oxadiazole

5-[(E)-but-2-en-2-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 89033738) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-[(E)-but-2-en-2-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(E)-but-2-en-2-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID89033738
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name5-[(E)-but-2-en-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESC/C=C(\C)c1nc(C)no1
InChIInChI=1S/C7H10N2O/c1-4-5(2)7-8-6(3)9-10-7/h4H,1-3H3/b5-4+
InChIKeyABVOHWGTUKSNSA-SNAWJCMRSA-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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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-2-en-2-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(E)-but-2-en-2-yl]-3-methyl-1,2,4-oxadiazole (CID 89033738) is 5-[(E)-but-2-en-2-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(E)-but-2-en-2-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(E)-but-2-en-2-yl]-3-methyl-1,2,4-oxadiazole is C/C=C(\C)c1nc(C)no1.
What is the InChIKey of 5-[(E)-but-2-en-2-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is ABVOHWGTUKSNSA-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H10N2O/c1-4-5(2)7-8-6(3)9-10-7/h4H,1-3H3/b5-4+.
What are the key properties of 5-[(E)-but-2-en-2-yl]-3-methyl-1,2,4-oxadiazole?
5-[(E)-but-2-en-2-yl]-3-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 5-[(E)-but-2-en-2-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 89033738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).