N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

C18H12BrF3N2O2 — CID 84553453

IUPACN-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)c2coc(-c3ccc(C(F)(F)F)cc3)n2)ccc1Br
InChIInChI=1S/C18H12BrF3N2O2/c1-10-8-13(6-7-14(10)19)23-16(25)15-9-26-17(24-15)11-2-4-12(5-3-11)18(20,21)22/h2-9H,1H3,(H,23,25)
InChIKeyLLTSGKAKEORKBE-UHFFFAOYSA-N
MW425.20 g/mol
LogP5.68
Rot. Bonds3

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

N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 84553453) has the molecular formula C18H12BrF3N2O2 and a molecular weight of 425.20 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID84553453
Molecular FormulaC18H12BrF3N2O2
Molecular Weight425.20 g/mol
Exact Mass424.00
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)c2coc(-c3ccc(C(F)(F)F)cc3)n2)ccc1Br
InChIInChI=1S/C18H12BrF3N2O2/c1-10-8-13(6-7-14(10)19)23-16(25)15-9-26-17(24-15)11-2-4-12(5-3-11)18(20,21)22/h2-9H,1H3,(H,23,25)
InChIKeyLLTSGKAKEORKBE-UHFFFAOYSA-N
XLogP5.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.20
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553281
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-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553355
N-(2-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553338
2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009815
N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115578171
5-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391165
2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 84552918
N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84557279
2-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 155776669
2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 84552881

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 84553453) is N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is Cc1cc(NC(=O)c2coc(-c3ccc(C(F)(F)F)cc3)n2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is LLTSGKAKEORKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF3N2O2/c1-10-8-13(6-7-14(10)19)23-16(25)15-9-26-17(24-15)11-2-4-12(5-3-11)18(20,21)22/h2-9H,1H3,(H,23,25).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 425.20 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 84553453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).