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

C12H12N2O2 — CID 4278176

IUPAC5-[2-(2-methoxyphenyl)ethenyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccccc1C=Cc1nc(C)no1
InChIInChI=1S/C12H12N2O2/c1-9-13-12(16-14-9)8-7-10-5-3-4-6-11(10)15-2/h3-8H,1-2H3
InChIKeyPEDFHEMERHLMFM-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.56
Rot. Bonds3

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

5-[2-(2-methoxyphenyl)ethenyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 4278176) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenyl)ethenyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(2-methoxyphenyl)ethenyl]-3-methyl-1,2,4-oxadiazole
PubChem CID4278176
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-[2-(2-methoxyphenyl)ethenyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccccc1C=Cc1nc(C)no1
InChIInChI=1S/C12H12N2O2/c1-9-13-12(16-14-9)8-7-10-5-3-4-6-11(10)15-2/h3-8H,1-2H3
InChIKeyPEDFHEMERHLMFM-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[2-[2-(azepan-1-yl)ethoxy]phenyl]ethenyl]-3-methyl-1,2,4-oxadiazole
CID 3448170
5-[(E)-2-[2-[2-(azepan-1-ium-1-yl)ethoxy]phenyl]ethenyl]-3-methyl-1,2,4-oxadiazole
CID 7104389
2-[2-(2-methoxyphenyl)ethenyl]-3,5,6-trimethylpyrazine
CID 141144702
5-[(E)-2-(2-methoxyphenyl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959035
6-[5-[(E)-2-(2-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one
CID 53065152
5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 167968274
(Z)-3-(2-methoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one
CID 94570799
2-[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
CID 127035001
1-(2-fluoroethenyl)-2-methoxybenzene
CID 134862998
(3R,5R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 128974083
3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
CID 53315540
(2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane
CID 24806595

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenyl)ethenyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(2-methoxyphenyl)ethenyl]-3-methyl-1,2,4-oxadiazole (CID 4278176) is 5-[2-(2-methoxyphenyl)ethenyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(2-methoxyphenyl)ethenyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(2-methoxyphenyl)ethenyl]-3-methyl-1,2,4-oxadiazole is COc1ccccc1C=Cc1nc(C)no1.
What is the InChIKey of 5-[2-(2-methoxyphenyl)ethenyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is PEDFHEMERHLMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9-13-12(16-14-9)8-7-10-5-3-4-6-11(10)15-2/h3-8H,1-2H3.
What are the key properties of 5-[2-(2-methoxyphenyl)ethenyl]-3-methyl-1,2,4-oxadiazole?
5-[2-(2-methoxyphenyl)ethenyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 216.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenyl)ethenyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 4278176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).