3-pent-2-en-3-yl-1,2,4-oxadiazole

C7H10N2O — CID 91112920

IUPAC3-pent-2-en-3-yl-1,2,4-oxadiazole
SMILESCC=C(CC)c1ncon1
InChIInChI=1S/C7H10N2O/c1-3-6(4-2)7-8-5-10-9-7/h3,5H,4H2,1-2H3
InChIKeyXIKVOXVWUMIYEY-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.88
Rot. Bonds2

About 3-pent-2-en-3-yl-1,2,4-oxadiazole

3-pent-2-en-3-yl-1,2,4-oxadiazole (PubChem CID 91112920) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-pent-2-en-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pent-2-en-3-yl-1,2,4-oxadiazole
PubChem CID91112920
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-pent-2-en-3-yl-1,2,4-oxadiazole
SMILESCC=C(CC)c1ncon1
InChIInChI=1S/C7H10N2O/c1-3-6(4-2)7-8-5-10-9-7/h3,5H,4H2,1-2H3
InChIKeyXIKVOXVWUMIYEY-UHFFFAOYSA-N
XLogP1.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,6-Difluoro-4-methylcyclohexa-1,5-dien-1-yl)-1,2,4-oxadiazole
CID 90946787
3-(5-Fluoro-4-methylocta-1,3,5-trien-2-yl)-4-methyl-1,2,4-oxadiazol-4-ium
CID 123264707
[(2E,4E)-1,1-difluoro-2-methyl-5-(1,2,4-oxadiazol-3-yl)hepta-2,4-dienyl]phosphane
CID 167046907
3-[5-(Trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]-1,2,4-oxadiazole
CID 167046967
3-[(E)-but-2-enyl]-1,2,4-oxadiazole
CID 19825701
3-Prop-1-en-2-yl-1,2,4-oxadiazole
CID 20189690
3-But-2-enyl-1,2,4-oxadiazole
CID 53714927
3-Hex-2-enyl-1,2,4-oxadiazole
CID 53966256
3-(5-Methylhept-2-en-2-yl)-1,2,4-oxadiazole
CID 123399946
3-Penta-1,3-dien-3-yl-1,2,4-oxadiazole
CID 123690413
3-But-3-en-2-yl-1,2,4-oxadiazole
CID 139475481
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole
CID 142672393

Frequently Asked Questions

What is the IUPAC name of 3-pent-2-en-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-pent-2-en-3-yl-1,2,4-oxadiazole (CID 91112920) is 3-pent-2-en-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-pent-2-en-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-pent-2-en-3-yl-1,2,4-oxadiazole is CC=C(CC)c1ncon1.
What is the InChIKey of 3-pent-2-en-3-yl-1,2,4-oxadiazole?
The InChIKey is XIKVOXVWUMIYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-6(4-2)7-8-5-10-9-7/h3,5H,4H2,1-2H3.
What are the key properties of 3-pent-2-en-3-yl-1,2,4-oxadiazole?
3-pent-2-en-3-yl-1,2,4-oxadiazole has a molecular weight of 138.17 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-2-en-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 91112920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).