1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone

C19H15F3N2O4 — CID 30386873

IUPAC1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C19H15F3N2O4/c1-11(25)13-5-8-15(16(9-13)26-2)27-10-17-23-18(24-28-17)12-3-6-14(7-4-12)19(20,21)22/h3-9H,10H2,1-2H3
InChIKeyWWFBFMRMGICGTK-UHFFFAOYSA-N
MW392.33 g/mol
LogP4.55
Rot. Bonds6

About 1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone

1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone (PubChem CID 30386873) has the molecular formula C19H15F3N2O4 and a molecular weight of 392.33 g/mol. Its IUPAC name is 1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
PubChem CID30386873
Molecular FormulaC19H15F3N2O4
Molecular Weight392.33 g/mol
Exact Mass392.10
IUPAC Name1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C19H15F3N2O4/c1-11(25)13-5-8-15(16(9-13)26-2)27-10-17-23-18(24-28-17)12-3-6-14(7-4-12)19(20,21)22/h3-9H,10H2,1-2H3
InChIKeyWWFBFMRMGICGTK-UHFFFAOYSA-N
XLogP4.55
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone with MolForge

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Related Compounds

4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 67718067
1-[4-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]-3-methoxyphenyl]ethanone
CID 55923618
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 6492243
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3,4-dimethoxybenzoate
CID 40747862
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
CID 46133782
2-methyl-2-[4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenoxy]propanoic acid
CID 10112970
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-ethoxy-3-methoxybenzoate
CID 16516071
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 4-carbamoylbenzoate
CID 32864538
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(trifluoromethyl)benzoate
CID 46519572
N-cyclohexyl-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83285428
1-[3-methoxy-4-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethoxy]phenyl]ethanone
CID 95783906
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 32765448

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone (CID 30386873) is 1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone is COc1cc(C(C)=O)ccc1OCc1nc(-c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of 1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone?
The InChIKey is WWFBFMRMGICGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O4/c1-11(25)13-5-8-15(16(9-13)26-2)27-10-17-23-18(24-28-17)12-3-6-14(7-4-12)19(20,21)22/h3-9H,10H2,1-2H3.
What are the key properties of 1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone?
1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone has a molecular weight of 392.33 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 30386873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).