3-(3-ethyl-2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole

C12H14N2O2 — CID 170278718

IUPAC3-(3-ethyl-2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
SMILESCCc1cccc(-c2noc(C)n2)c1OC
InChIInChI=1S/C12H14N2O2/c1-4-9-6-5-7-10(11(9)15-3)12-13-8(2)16-14-12/h5-7H,4H2,1-3H3
InChIKeyIAPQTRWUNLHUQO-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.62
Rot. Bonds3

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

3-(3-ethyl-2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole (PubChem CID 170278718) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(3-ethyl-2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-ethyl-2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
PubChem CID170278718
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(3-ethyl-2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
SMILESCCc1cccc(-c2noc(C)n2)c1OC
InChIInChI=1S/C12H14N2O2/c1-4-9-6-5-7-10(11(9)15-3)12-13-8(2)16-14-12/h5-7H,4H2,1-3H3
InChIKeyIAPQTRWUNLHUQO-UHFFFAOYSA-N
XLogP2.62
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 736967
1-(2-Methoxybenzyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine
CID 16189001
3-(2-Methoxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2234387
5-(2-Methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
(E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512034
(Z)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369026
5-(4-Methoxybenzyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 705839
5-[(2-Methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 705847
5-[(2,4-Dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 876417
3-(4-Methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 888680
5-(4-Methoxybenzyl)-3-phenyl-1,2,4-oxadiazole
CID 957143
5-Ethyl-3-(4'-propoxybiphenyl-4-yl)-1,2,4-oxadiazole
CID 2258378

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-ethyl-2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole (CID 170278718) is 3-(3-ethyl-2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-ethyl-2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-ethyl-2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole is CCc1cccc(-c2noc(C)n2)c1OC.
What is the InChIKey of 3-(3-ethyl-2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole?
The InChIKey is IAPQTRWUNLHUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-4-9-6-5-7-10(11(9)15-3)12-13-8(2)16-14-12/h5-7H,4H2,1-3H3.
What are the key properties of 3-(3-ethyl-2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole?
3-(3-ethyl-2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole has a molecular weight of 218.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 170278718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).