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

C16H9BrF3N3O2 — CID 84553465

IUPACN-(5-bromo-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1coc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H9BrF3N3O2/c17-11-5-6-13(21-7-11)23-14(24)12-8-25-15(22-12)9-1-3-10(4-2-9)16(18,19)20/h1-8H,(H,21,23,24)
InChIKeyWMNNJLLEOJIUSF-UHFFFAOYSA-N
MW412.17 g/mol
LogP4.77
Rot. Bonds3

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

N-(5-bromo-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 84553465) has the molecular formula C16H9BrF3N3O2 and a molecular weight of 412.17 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID84553465
Molecular FormulaC16H9BrF3N3O2
Molecular Weight412.17 g/mol
Exact Mass410.98
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1coc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H9BrF3N3O2/c17-11-5-6-13(21-7-11)23-14(24)12-8-25-15(22-12)9-1-3-10(4-2-9)16(18,19)20/h1-8H,(H,21,23,24)
InChIKeyWMNNJLLEOJIUSF-UHFFFAOYSA-N
XLogP4.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.17
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553281
N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553453
N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84557279
N-[4-(pyridin-4-ylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553376
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
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 87342724
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252
N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 84554131
N-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026213
N-(5-bromo-2-pyridinyl)-6-(methylamino)pyridine-2-carboxamide
CID 62238936
N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115692921

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 84553465) is N-(5-bromo-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(Br)cn1)c1coc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is WMNNJLLEOJIUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF3N3O2/c17-11-5-6-13(21-7-11)23-14(24)12-8-25-15(22-12)9-1-3-10(4-2-9)16(18,19)20/h1-8H,(H,21,23,24).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
N-(5-bromo-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 412.17 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 84553465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).