2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide

C25H19F3N2O3 — CID 100504594

IUPAC2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C(F)(F)F)cc3)o2)cc1
InChIInChI=1S/C25H19F3N2O3/c1-2-32-19-13-7-16(8-14-19)22-15-29-24(33-22)21-6-4-3-5-20(21)23(31)30-18-11-9-17(10-12-18)25(26,27)28/h3-15H,2H2,1H3,(H,30,31)
InChIKeyWWBYGMCEYVXWFT-UHFFFAOYSA-N
MW452.43 g/mol
LogP6.68
Rot. Bonds6

About 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide

2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 100504594) has the molecular formula C25H19F3N2O3 and a molecular weight of 452.43 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID100504594
Molecular FormulaC25H19F3N2O3
Molecular Weight452.43 g/mol
Exact Mass452.13
IUPAC Name2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C(F)(F)F)cc3)o2)cc1
InChIInChI=1S/C25H19F3N2O3/c1-2-32-19-13-7-16(8-14-19)22-15-29-24(33-22)21-6-4-3-5-20(21)23(31)30-18-11-9-17(10-12-18)25(26,27)28/h3-15H,2H2,1H3,(H,30,31)
InChIKeyWWBYGMCEYVXWFT-UHFFFAOYSA-N
XLogP6.68
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.43
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 100504090
N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504365
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
CID 100504854
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500843
N-(3-chlorophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504316
N-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504867
N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502272
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxyphenyl)benzamide
CID 36703629
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 100503714
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide
CID 100504250
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide
CID 100503847
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methylpropyl)benzamide
CID 100503798

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide (CID 100504594) is 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide is CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C(F)(F)F)cc3)o2)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is WWBYGMCEYVXWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O3/c1-2-32-19-13-7-16(8-14-19)22-15-29-24(33-22)21-6-4-3-5-20(21)23(31)30-18-11-9-17(10-12-18)25(26,27)28/h3-15H,2H2,1H3,(H,30,31).
What are the key properties of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide?
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 452.43 g/mol, XLogP of 6.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 100504594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).