5-ethenyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole

C11H10N2O2 — CID 14435829

IUPAC5-ethenyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESC=Cc1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C11H10N2O2/c1-3-10-12-11(13-15-10)8-4-6-9(14-2)7-5-8/h3-7H,1H2,2H3
InChIKeyJARFJDXTHJSOCW-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.39
Rot. Bonds3

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

5-ethenyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 14435829) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-ethenyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethenyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID14435829
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5-ethenyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESC=Cc1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C11H10N2O2/c1-3-10-12-11(13-15-10)8-4-6-9(14-2)7-5-8/h3-7H,1H2,2H3
InChIKeyJARFJDXTHJSOCW-UHFFFAOYSA-N
XLogP2.39
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethenyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 14435829) is 5-ethenyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethenyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethenyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole is C=Cc1nc(-c2ccc(OC)cc2)no1.
What is the InChIKey of 5-ethenyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is JARFJDXTHJSOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-3-10-12-11(13-15-10)8-4-6-9(14-2)7-5-8/h3-7H,1H2,2H3.
What are the key properties of 5-ethenyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
5-ethenyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 202.21 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 14435829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).