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

C16H14N2O2 — CID 2243275

IUPAC5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C16H14N2O2/c1-11-6-5-7-12(10-11)15-17-16(20-18-15)13-8-3-4-9-14(13)19-2/h3-10H,1-2H3
InChIKeyOQWLLCHAISGPKT-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.72
Rot. Bonds3

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

5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 2243275) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID2243275
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C16H14N2O2/c1-11-6-5-7-12(10-11)15-17-16(20-18-15)13-8-3-4-9-14(13)19-2/h3-10H,1-2H3
InChIKeyOQWLLCHAISGPKT-UHFFFAOYSA-N
XLogP3.72
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 46265177
2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone
CID 46160785
5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 168526202
5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2742649
5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 119103240
2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-pyrimidin-2-ylacetamide
CID 50746144
3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 75527889
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747339
N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]formamide
CID 168653735
2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50746017
N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 1247975

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 2243275) is 5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1nc(-c2cccc(C)c2)no1.
What is the InChIKey of 5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is OQWLLCHAISGPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-6-5-7-12(10-11)15-17-16(20-18-15)13-8-3-4-9-14(13)19-2/h3-10H,1-2H3.
What are the key properties of 5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 266.30 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2243275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).