2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide

C20H16F4N2O4 — CID 16879383

IUPAC2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(-c2cc(CC(=O)Nc3ccc(F)c(C(F)(F)F)c3)no2)cc1OC
InChIInChI=1S/C20H16F4N2O4/c1-28-16-6-3-11(7-18(16)29-2)17-9-13(26-30-17)10-19(27)25-12-4-5-15(21)14(8-12)20(22,23)24/h3-9H,10H2,1-2H3,(H,25,27)
InChIKeyUASKIWLPBIGWGQ-UHFFFAOYSA-N
MW424.35 g/mol
LogP4.70
Rot. Bonds6

About 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide

2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 16879383) has the molecular formula C20H16F4N2O4 and a molecular weight of 424.35 g/mol. Its IUPAC name is 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID16879383
Molecular FormulaC20H16F4N2O4
Molecular Weight424.35 g/mol
Exact Mass424.10
IUPAC Name2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(-c2cc(CC(=O)Nc3ccc(F)c(C(F)(F)F)c3)no2)cc1OC
InChIInChI=1S/C20H16F4N2O4/c1-28-16-6-3-11(7-18(16)29-2)17-9-13(26-30-17)10-19(27)25-12-4-5-15(21)14(8-12)20(22,23)24/h3-9H,10H2,1-2H3,(H,25,27)
InChIKeyUASKIWLPBIGWGQ-UHFFFAOYSA-N
XLogP4.70
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879212
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(4-fluoro-3-nitrophenyl)acetamide
CID 16879379
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16879344
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,3-dimethylphenyl)acetamide
CID 16879363
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 121050162
N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879374
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 16879298
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 16879285
N-(3-chloro-4-fluorophenyl)-1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504125
N-(4-acetamidophenyl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 16878906
N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878475
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylphenyl)acetamide
CID 16878981

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide (CID 16879383) is 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide is COc1ccc(-c2cc(CC(=O)Nc3ccc(F)c(C(F)(F)F)c3)no2)cc1OC.
What is the InChIKey of 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UASKIWLPBIGWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N2O4/c1-28-16-6-3-11(7-18(16)29-2)17-9-13(26-30-17)10-19(27)25-12-4-5-15(21)14(8-12)20(22,23)24/h3-9H,10H2,1-2H3,(H,25,27).
What are the key properties of 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 424.35 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16879383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).