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

C25H21FN2O6 — CID 46052907

IUPAC1-(2,5-dimethoxyphenyl)-2-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]ethanone
SMILESCOc1ccc(OC)c(C(=O)COc2ccc(-c3noc(-c4ccccc4F)n3)cc2OC)c1
InChIInChI=1S/C25H21FN2O6/c1-30-16-9-11-21(31-2)18(13-16)20(29)14-33-22-10-8-15(12-23(22)32-3)24-27-25(34-28-24)17-6-4-5-7-19(17)26/h4-13H,14H2,1-3H3
InChIKeyKFHIXPNKJCNBMJ-UHFFFAOYSA-N
MW464.45 g/mol
LogP4.83
Rot. Bonds9

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

1-(2,5-dimethoxyphenyl)-2-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]ethanone (PubChem CID 46052907) has the molecular formula C25H21FN2O6 and a molecular weight of 464.45 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]ethanone
PubChem CID46052907
Molecular FormulaC25H21FN2O6
Molecular Weight464.45 g/mol
Exact Mass464.14
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]ethanone
SMILESCOc1ccc(OC)c(C(=O)COc2ccc(-c3noc(-c4ccccc4F)n3)cc2OC)c1
InChIInChI=1S/C25H21FN2O6/c1-30-16-9-11-21(31-2)18(13-16)20(29)14-33-22-10-8-15(12-23(22)32-3)24-27-25(34-28-24)17-6-4-5-7-19(17)26/h4-13H,14H2,1-3H3
InChIKeyKFHIXPNKJCNBMJ-UHFFFAOYSA-N
XLogP4.83
TPSA92.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone
CID 46052889
N-(2-fluorophenyl)-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267221
2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone
CID 46160785
5-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-hydroxybenzoic acid
CID 135924068
N-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267215
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide
CID 3159477
3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole
CID 46044217
2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 46267171
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328687
2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 50755911
2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23010460
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 2016311

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]ethanone?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]ethanone (CID 46052907) is 1-(2,5-dimethoxyphenyl)-2-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]ethanone.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]ethanone?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]ethanone is COc1ccc(OC)c(C(=O)COc2ccc(-c3noc(-c4ccccc4F)n3)cc2OC)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]ethanone?
The InChIKey is KFHIXPNKJCNBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O6/c1-30-16-9-11-21(31-2)18(13-16)20(29)14-33-22-10-8-15(12-23(22)32-3)24-27-25(34-28-24)17-6-4-5-7-19(17)26/h4-13H,14H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]ethanone?
1-(2,5-dimethoxyphenyl)-2-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]ethanone has a molecular weight of 464.45 g/mol, XLogP of 4.83, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]ethanone is sourced from PubChem (CID 46052907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).