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

C19H11F3N2O2S — CID 177345280

IUPACN-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2cc(-c3ccsc3)ccc2o1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H11F3N2O2S/c20-19(21,22)14-4-2-1-3-13(14)17(25)24-18-23-15-9-11(5-6-16(15)26-18)12-7-8-27-10-12/h1-10H,(H,23,24,25)
InChIKeyBTBNNKKNRUJFBS-UHFFFAOYSA-N
MW388.37 g/mol
LogP5.83
Rot. Bonds3

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

N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)benzamide (PubChem CID 177345280) has the molecular formula C19H11F3N2O2S and a molecular weight of 388.37 g/mol. Its IUPAC name is N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)benzamide
PubChem CID177345280
Molecular FormulaC19H11F3N2O2S
Molecular Weight388.37 g/mol
Exact Mass388.05
IUPAC NameN-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2cc(-c3ccsc3)ccc2o1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H11F3N2O2S/c20-19(21,22)14-4-2-1-3-13(14)17(25)24-18-23-15-9-11(5-6-16(15)26-18)12-7-8-27-10-12/h1-10H,(H,23,24,25)
InChIKeyBTBNNKKNRUJFBS-UHFFFAOYSA-N
XLogP5.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.37
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzamide
CID 177345301
N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 47066424
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 90627839
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122162286
3-methyl-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzenesulfonamide
CID 177345313
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 91630191
2-(methoxymethyl)-N-(6-methyl-1,3-benzoxazol-2-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 144531984
N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide
CID 108808047
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 26249519
N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363
N-[3-(5-methyl-1,3-benzoxazol-2-yl)-4-propan-2-yloxyphenyl]-2-(trifluoromethyl)benzamide
CID 69075322
N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866

Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)benzamide (CID 177345280) is N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)benzamide is O=C(Nc1nc2cc(-c3ccsc3)ccc2o1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is BTBNNKKNRUJFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2O2S/c20-19(21,22)14-4-2-1-3-13(14)17(25)24-18-23-15-9-11(5-6-16(15)26-18)12-7-8-27-10-12/h1-10H,(H,23,24,25).
What are the key properties of N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)benzamide?
N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 388.37 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 177345280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).