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

C20H17F3N2O5 — CID 16879344

IUPAC2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCOc1ccc(-c2cc(CC(=O)Nc3ccc(OC(F)(F)F)cc3)no2)cc1OC
InChIInChI=1S/C20H17F3N2O5/c1-27-16-8-3-12(9-18(16)28-2)17-10-14(25-30-17)11-19(26)24-13-4-6-15(7-5-13)29-20(21,22)23/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyNWAKUUKFSMPISD-UHFFFAOYSA-N
MW422.36 g/mol
LogP4.44
Rot. Bonds7

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

2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 16879344) has the molecular formula C20H17F3N2O5 and a molecular weight of 422.36 g/mol. Its IUPAC name is 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID16879344
Molecular FormulaC20H17F3N2O5
Molecular Weight422.36 g/mol
Exact Mass422.11
IUPAC Name2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCOc1ccc(-c2cc(CC(=O)Nc3ccc(OC(F)(F)F)cc3)no2)cc1OC
InChIInChI=1S/C20H17F3N2O5/c1-27-16-8-3-12(9-18(16)28-2)17-10-14(25-30-17)11-19(26)24-13-4-6-15(7-5-13)29-20(21,22)23/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyNWAKUUKFSMPISD-UHFFFAOYSA-N
XLogP4.44
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 16879383
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(4-fluoro-3-nitrophenyl)acetamide
CID 16879379
N-(4-methoxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878325
3-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 46273326
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879212
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylphenyl)acetamide
CID 16878981
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,3-dimethylphenyl)acetamide
CID 16879363
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-phenoxyphenyl)acetamide
CID 16879011
methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
CID 16878495
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-(2,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9404556

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 16879344) is 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is COc1ccc(-c2cc(CC(=O)Nc3ccc(OC(F)(F)F)cc3)no2)cc1OC.
What is the InChIKey of 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is NWAKUUKFSMPISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O5/c1-27-16-8-3-12(9-18(16)28-2)17-10-14(25-30-17)11-19(26)24-13-4-6-15(7-5-13)29-20(21,22)23/h3-10H,11H2,1-2H3,(H,24,26).
What are the key properties of 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 422.36 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 16879344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).