3-(5-methylhept-2-en-2-yl)-1,2,4-oxadiazole

C10H16N2O — CID 123399946

IUPAC3-(5-methylhept-2-en-2-yl)-1,2,4-oxadiazole
SMILESCCC(C)CC=C(C)c1ncon1
InChIInChI=1S/C10H16N2O/c1-4-8(2)5-6-9(3)10-11-7-13-12-10/h6-8H,4-5H2,1-3H3
InChIKeyQWKKJHRWQYUUCA-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.91
Rot. Bonds4

About 3-(5-methylhept-2-en-2-yl)-1,2,4-oxadiazole

3-(5-methylhept-2-en-2-yl)-1,2,4-oxadiazole (PubChem CID 123399946) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(5-methylhept-2-en-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-methylhept-2-en-2-yl)-1,2,4-oxadiazole
PubChem CID123399946
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-(5-methylhept-2-en-2-yl)-1,2,4-oxadiazole
SMILESCCC(C)CC=C(C)c1ncon1
InChIInChI=1S/C10H16N2O/c1-4-8(2)5-6-9(3)10-11-7-13-12-10/h6-8H,4-5H2,1-3H3
InChIKeyQWKKJHRWQYUUCA-UHFFFAOYSA-N
XLogP2.91
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethylhept-2-ene;ethane
CID 144650208
(E)-2-fluoro-5-methylhept-2-ene
CID 89043043
(E)-2,5-dimethylhept-2-en-1-ol
CID 88722720
1-(1,2,4-oxadiazol-3-yl)propan-1-ol
CID 103096089
(Z)-4,7-dimethylnon-4-ene
CID 143531390
2,5-dimethylhept-2-enamide
CID 140547183
N-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 114877624
(E)-2,5,8-trimethyldec-5-en-3-ol
CID 143524733
[5-(2-methylbutyl)-1,3-oxazol-4-yl]methanol
CID 114877640
(2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106397686
3-[(4-butan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 113219733
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine
CID 106396000

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylhept-2-en-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-methylhept-2-en-2-yl)-1,2,4-oxadiazole (CID 123399946) is 3-(5-methylhept-2-en-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-methylhept-2-en-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-methylhept-2-en-2-yl)-1,2,4-oxadiazole is CCC(C)CC=C(C)c1ncon1.
What is the InChIKey of 3-(5-methylhept-2-en-2-yl)-1,2,4-oxadiazole?
The InChIKey is QWKKJHRWQYUUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-8(2)5-6-9(3)10-11-7-13-12-10/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-(5-methylhept-2-en-2-yl)-1,2,4-oxadiazole?
3-(5-methylhept-2-en-2-yl)-1,2,4-oxadiazole has a molecular weight of 180.25 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylhept-2-en-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 123399946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).