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

C25H18ClF3N2O4 — CID 100508362

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Cl)cc3C(F)(F)F)o2)c(OC)c1
InChIInChI=1S/C25H18ClF3N2O4/c1-33-15-8-9-18(21(12-15)34-2)22-13-30-24(35-22)17-6-4-3-5-16(17)23(32)31-20-10-7-14(26)11-19(20)25(27,28)29/h3-13H,1-2H3,(H,31,32)
InChIKeyJCDICSMHGVGFJV-UHFFFAOYSA-N
MW502.88 g/mol
LogP6.95
Rot. Bonds6

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 100508362) has the molecular formula C25H18ClF3N2O4 and a molecular weight of 502.88 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID100508362
Molecular FormulaC25H18ClF3N2O4
Molecular Weight502.88 g/mol
Exact Mass502.09
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Cl)cc3C(F)(F)F)o2)c(OC)c1
InChIInChI=1S/C25H18ClF3N2O4/c1-33-15-8-9-18(21(12-15)34-2)22-13-30-24(35-22)17-6-4-3-5-16(17)23(32)31-20-10-7-14(26)11-19(20)25(27,28)29/h3-13H,1-2H3,(H,31,32)
InChIKeyJCDICSMHGVGFJV-UHFFFAOYSA-N
XLogP6.95
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.88
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 100506960
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 100506441
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide
CID 100507572
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide
CID 100508304
N-(3,4-dimethoxyphenyl)-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100507661
N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502448
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
CID 100507780
N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100508470
N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100503547
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 133150106
methyl 2-[[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]-4,5-dimethoxybenzoate
CID 100514052
N-(2-fluorophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502310

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide (CID 100508362) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide is COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Cl)cc3C(F)(F)F)o2)c(OC)c1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is JCDICSMHGVGFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF3N2O4/c1-33-15-8-9-18(21(12-15)34-2)22-13-30-24(35-22)17-6-4-3-5-16(17)23(32)31-20-10-7-14(26)11-19(20)25(27,28)29/h3-13H,1-2H3,(H,31,32).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 502.88 g/mol, XLogP of 6.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 100508362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).