3-(2-ethenyl-3-propylphenyl)-5-methyl-1,2,4-oxadiazole

C14H16N2O — CID 143608734

IUPAC3-(2-ethenyl-3-propylphenyl)-5-methyl-1,2,4-oxadiazole
SMILESC=Cc1c(CCC)cccc1-c1noc(C)n1
InChIInChI=1S/C14H16N2O/c1-4-7-11-8-6-9-13(12(11)5-2)14-15-10(3)17-16-14/h5-6,8-9H,2,4,7H2,1,3H3
InChIKeyFANZOZVHLOUIEE-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.64
Rot. Bonds4

About 3-(2-ethenyl-3-propylphenyl)-5-methyl-1,2,4-oxadiazole

3-(2-ethenyl-3-propylphenyl)-5-methyl-1,2,4-oxadiazole (PubChem CID 143608734) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(2-ethenyl-3-propylphenyl)-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethenyl-3-propylphenyl)-5-methyl-1,2,4-oxadiazole
PubChem CID143608734
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-(2-ethenyl-3-propylphenyl)-5-methyl-1,2,4-oxadiazole
SMILESC=Cc1c(CCC)cccc1-c1noc(C)n1
InChIInChI=1S/C14H16N2O/c1-4-7-11-8-6-9-13(12(11)5-2)14-15-10(3)17-16-14/h5-6,8-9H,2,4,7H2,1,3H3
InChIKeyFANZOZVHLOUIEE-UHFFFAOYSA-N
XLogP3.64
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethyl-2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 170278718
3-(2-iodophenyl)-5-methyl-1,2,4-oxadiazole
CID 131159700
1-(2-ethenyl-3-propylphenyl)-N,N-dimethylmethanamine
CID 166798173
1-butyl-2-ethenyl-3-methylbenzene
CID 154145018
1,3-didecyl-2-ethenylbenzene
CID 10572118
2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 66976761
3-[3,5-bis[5-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 59491909
3-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[3-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole;methane
CID 158479499
N-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53160899
5-methyl-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole
CID 174413699
3-butyl-2-ethenylphenol
CID 23312031
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 70269998

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenyl-3-propylphenyl)-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethenyl-3-propylphenyl)-5-methyl-1,2,4-oxadiazole (CID 143608734) is 3-(2-ethenyl-3-propylphenyl)-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethenyl-3-propylphenyl)-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethenyl-3-propylphenyl)-5-methyl-1,2,4-oxadiazole is C=Cc1c(CCC)cccc1-c1noc(C)n1.
What is the InChIKey of 3-(2-ethenyl-3-propylphenyl)-5-methyl-1,2,4-oxadiazole?
The InChIKey is FANZOZVHLOUIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-4-7-11-8-6-9-13(12(11)5-2)14-15-10(3)17-16-14/h5-6,8-9H,2,4,7H2,1,3H3.
What are the key properties of 3-(2-ethenyl-3-propylphenyl)-5-methyl-1,2,4-oxadiazole?
3-(2-ethenyl-3-propylphenyl)-5-methyl-1,2,4-oxadiazole has a molecular weight of 228.29 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenyl-3-propylphenyl)-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 143608734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).