2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone

C24H19FN2O4 — CID 46052889

IUPAC2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone
SMILESCOc1cc(-c2noc(-c3ccc(F)cc3)n2)ccc1OCC(=O)c1ccc(C)cc1
InChIInChI=1S/C24H19FN2O4/c1-15-3-5-16(6-4-15)20(28)14-30-21-12-9-18(13-22(21)29-2)23-26-24(31-27-23)17-7-10-19(25)11-8-17/h3-13H,14H2,1-2H3
InChIKeyFXMCJQRDOYCSBC-UHFFFAOYSA-N
MW418.42 g/mol
LogP5.12
Rot. Bonds7

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

2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone (PubChem CID 46052889) has the molecular formula C24H19FN2O4 and a molecular weight of 418.42 g/mol. Its IUPAC name is 2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone
PubChem CID46052889
Molecular FormulaC24H19FN2O4
Molecular Weight418.42 g/mol
Exact Mass418.13
IUPAC Name2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone
SMILESCOc1cc(-c2noc(-c3ccc(F)cc3)n2)ccc1OCC(=O)c1ccc(C)cc1
InChIInChI=1S/C24H19FN2O4/c1-15-3-5-16(6-4-15)20(28)14-30-21-12-9-18(13-22(21)29-2)23-26-24(31-27-23)17-7-10-19(25)11-8-17/h3-13H,14H2,1-2H3
InChIKeyFXMCJQRDOYCSBC-UHFFFAOYSA-N
XLogP5.12
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.42
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone with MolForge

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Related Compounds

5-(4-fluorophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 83287470
N-ethyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267236
N-(2-fluorophenyl)-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267221
2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 46267171
N-butyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267238
2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone
CID 46160785
1-(2,5-dimethoxyphenyl)-2-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]ethanone
CID 46052907
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyphenoxy]acetic acid
CID 23010360
N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083893
5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326293
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328687
2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone
CID 62671843

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone (CID 46052889) is 2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone is COc1cc(-c2noc(-c3ccc(F)cc3)n2)ccc1OCC(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone?
The InChIKey is FXMCJQRDOYCSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O4/c1-15-3-5-16(6-4-15)20(28)14-30-21-12-9-18(13-22(21)29-2)23-26-24(31-27-23)17-7-10-19(25)11-8-17/h3-13H,14H2,1-2H3.
What are the key properties of 2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone?
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone has a molecular weight of 418.42 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 46052889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).