N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide

C15H9F3N2O3S — CID 39568217

IUPACN-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1SC(F)(F)F
InChIInChI=1S/C15H9F3N2O3S/c16-15(17,18)24-12-4-2-1-3-9(12)13(21)19-8-5-6-11-10(7-8)20-14(22)23-11/h1-7H,(H,19,21)(H,20,22)
InChIKeyPYQSPEHHQXWRGL-UHFFFAOYSA-N
MW354.31 g/mol
LogP3.99
Rot. Bonds3

About N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide

N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide (PubChem CID 39568217) has the molecular formula C15H9F3N2O3S and a molecular weight of 354.31 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide
PubChem CID39568217
Molecular FormulaC15H9F3N2O3S
Molecular Weight354.31 g/mol
Exact Mass354.03
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1SC(F)(F)F
InChIInChI=1S/C15H9F3N2O3S/c16-15(17,18)24-12-4-2-1-3-9(12)13(21)19-8-5-6-11-10(7-8)20-14(22)23-11/h1-7H,(H,19,21)(H,20,22)
InChIKeyPYQSPEHHQXWRGL-UHFFFAOYSA-N
XLogP3.99
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468167
2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019980
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenoxybenzamide
CID 38466452
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-4-carboxamide
CID 112525958
N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide
CID 55604501
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide
CID 112525968
2-bromo-5-fluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 60731828
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 104897322
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 37162940
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide (CID 39568217) is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide is O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1SC(F)(F)F.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide?
The InChIKey is PYQSPEHHQXWRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O3S/c16-15(17,18)24-12-4-2-1-3-9(12)13(21)19-8-5-6-11-10(7-8)20-14(22)23-11/h1-7H,(H,19,21)(H,20,22).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide?
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide has a molecular weight of 354.31 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 39568217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).