N-(5-bromo-1,2-benzoxazol-3-yl)-3-(trifluoromethyl)benzamide

C15H8BrF3N2O2 — CID 178063578

IUPACN-(5-bromo-1,2-benzoxazol-3-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1noc2ccc(Br)cc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H8BrF3N2O2/c16-10-4-5-12-11(7-10)13(21-23-12)20-14(22)8-2-1-3-9(6-8)15(17,18)19/h1-7H,(H,20,21,22)
InChIKeyRWQJWNQXZKCBOV-UHFFFAOYSA-N
MW385.14 g/mol
LogP4.86
Rot. Bonds2

About N-(5-bromo-1,2-benzoxazol-3-yl)-3-(trifluoromethyl)benzamide

N-(5-bromo-1,2-benzoxazol-3-yl)-3-(trifluoromethyl)benzamide (PubChem CID 178063578) has the molecular formula C15H8BrF3N2O2 and a molecular weight of 385.14 g/mol. Its IUPAC name is N-(5-bromo-1,2-benzoxazol-3-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-1,2-benzoxazol-3-yl)-3-(trifluoromethyl)benzamide
PubChem CID178063578
Molecular FormulaC15H8BrF3N2O2
Molecular Weight385.14 g/mol
Exact Mass383.97
IUPAC NameN-(5-bromo-1,2-benzoxazol-3-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1noc2ccc(Br)cc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H8BrF3N2O2/c16-10-4-5-12-11(7-10)13(21-23-12)20-14(22)8-2-1-3-9(6-8)15(17,18)19/h1-7H,(H,20,21,22)
InChIKeyRWQJWNQXZKCBOV-UHFFFAOYSA-N
XLogP4.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.14
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,2-benzoxazol-3-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-bromo-1,2-benzoxazol-3-yl)-3-(trifluoromethyl)benzamide (CID 178063578) is N-(5-bromo-1,2-benzoxazol-3-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-bromo-1,2-benzoxazol-3-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-bromo-1,2-benzoxazol-3-yl)-3-(trifluoromethyl)benzamide is O=C(Nc1noc2ccc(Br)cc12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(5-bromo-1,2-benzoxazol-3-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is RWQJWNQXZKCBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF3N2O2/c16-10-4-5-12-11(7-10)13(21-23-12)20-14(22)8-2-1-3-9(6-8)15(17,18)19/h1-7H,(H,20,21,22).
What are the key properties of N-(5-bromo-1,2-benzoxazol-3-yl)-3-(trifluoromethyl)benzamide?
N-(5-bromo-1,2-benzoxazol-3-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 385.14 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,2-benzoxazol-3-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 178063578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).