N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

C17H9Cl2F3N2O2 — CID 84553281

IUPACN-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1coc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H9Cl2F3N2O2/c18-11-5-12(19)7-13(6-11)23-15(25)14-8-26-16(24-14)9-1-3-10(4-2-9)17(20,21)22/h1-8H,(H,23,25)
InChIKeyDGUBIMCZJWBZOZ-UHFFFAOYSA-N
MW401.17 g/mol
LogP5.92
Rot. Bonds3

About N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 84553281) has the molecular formula C17H9Cl2F3N2O2 and a molecular weight of 401.17 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID84553281
Molecular FormulaC17H9Cl2F3N2O2
Molecular Weight401.17 g/mol
Exact Mass400.00
IUPAC NameN-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1coc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H9Cl2F3N2O2/c18-11-5-12(19)7-13(6-11)23-15(25)14-8-26-16(24-14)9-1-3-10(4-2-9)17(20,21)22/h1-8H,(H,23,25)
InChIKeyDGUBIMCZJWBZOZ-UHFFFAOYSA-N
XLogP5.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.17
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553453
N-[4-(pyridin-4-ylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553376
N-(5-bromo-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553465
N-(2-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553338
N-(2-propan-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553355
2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3857565
N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84557279
2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 84552881
2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 155675192
2-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 155776669
5-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391457
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552922

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 84553281) is N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1coc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is DGUBIMCZJWBZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2F3N2O2/c18-11-5-12(19)7-13(6-11)23-15(25)14-8-26-16(24-14)9-1-3-10(4-2-9)17(20,21)22/h1-8H,(H,23,25).
What are the key properties of N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 401.17 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 84553281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).