2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone

C24H20N2O4 — CID 46160785

IUPAC2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone
SMILESCOc1ccccc1-c1nc(-c2cccc(OCC(=O)c3ccc(C)cc3)c2)no1
InChIInChI=1S/C24H20N2O4/c1-16-10-12-17(13-11-16)21(27)15-29-19-7-5-6-18(14-19)23-25-24(30-26-23)20-8-3-4-9-22(20)28-2/h3-14H,15H2,1-2H3
InChIKeyZSIDPPCKZZCTQK-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.98
Rot. Bonds7

About 2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone

2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone (PubChem CID 46160785) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone
PubChem CID46160785
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone
SMILESCOc1ccccc1-c1nc(-c2cccc(OCC(=O)c3ccc(C)cc3)c2)no1
InChIInChI=1S/C24H20N2O4/c1-16-10-12-17(13-11-16)21(27)15-29-19-7-5-6-18(14-19)23-25-24(30-26-23)20-8-3-4-9-22(20)28-2/h3-14H,15H2,1-2H3
InChIKeyZSIDPPCKZZCTQK-UHFFFAOYSA-N
XLogP4.98
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone
CID 83284781
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone
CID 46052889
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747339
N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46266536
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 50754145
N-(3-methylphenyl)-2-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032399
2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23010460
1-(2,5-dimethoxyphenyl)-2-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]ethanone
CID 46052907
2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50754150
2-(3-methylphenoxy)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 20896070
3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 2018296

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone (CID 46160785) is 2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone is COc1ccccc1-c1nc(-c2cccc(OCC(=O)c3ccc(C)cc3)c2)no1.
What is the InChIKey of 2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone?
The InChIKey is ZSIDPPCKZZCTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-16-10-12-17(13-11-16)21(27)15-29-19-7-5-6-18(14-19)23-25-24(30-26-23)20-8-3-4-9-22(20)28-2/h3-14H,15H2,1-2H3.
What are the key properties of 2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone?
2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone has a molecular weight of 400.43 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 46160785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).