5-ethenyl-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole

C12H12N2O2 — CID 106789413

IUPAC5-ethenyl-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole
SMILESC=Cc1nc(-c2ccc(C)cc2OC)no1
InChIInChI=1S/C12H12N2O2/c1-4-11-13-12(14-16-11)9-6-5-8(2)7-10(9)15-3/h4-7H,1H2,2-3H3
InChIKeyBAZGYTGAARFVPD-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.70
Rot. Bonds3

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

5-ethenyl-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 106789413) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-ethenyl-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethenyl-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole
PubChem CID106789413
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-ethenyl-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole
SMILESC=Cc1nc(-c2ccc(C)cc2OC)no1
InChIInChI=1S/C12H12N2O2/c1-4-11-13-12(14-16-11)9-6-5-8(2)7-10(9)15-3/h4-7H,1H2,2-3H3
InChIKeyBAZGYTGAARFVPD-UHFFFAOYSA-N
XLogP2.70
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 106789680
(1S)-2-amino-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 114007041
3-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 106793379
5-(diethoxymethyl)-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole
CID 106793354
2-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine
CID 106789676
5-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 106793525
(1S,2S)-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 106789684
1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine
CID 106789732
1-cyclopropyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106789559
3-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 106793358
1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 106793440
3-(2-methoxy-4-methylphenyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 106789490

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethenyl-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole (CID 106789413) is 5-ethenyl-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethenyl-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethenyl-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole is C=Cc1nc(-c2ccc(C)cc2OC)no1.
What is the InChIKey of 5-ethenyl-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is BAZGYTGAARFVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-4-11-13-12(14-16-11)9-6-5-8(2)7-10(9)15-3/h4-7H,1H2,2-3H3.
What are the key properties of 5-ethenyl-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole?
5-ethenyl-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 216.24 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 106789413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).