N-(2-methyl-1,3-benzoxazol-6-yl)-2-(trifluoromethyl)benzamide

C16H11F3N2O2 — CID 2824074

IUPACN-(2-methyl-1,3-benzoxazol-6-yl)-2-(trifluoromethyl)benzamide
SMILESCc1nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2o1
InChIInChI=1S/C16H11F3N2O2/c1-9-20-13-7-6-10(8-14(13)23-9)21-15(22)11-4-2-3-5-12(11)16(17,18)19/h2-8H,1H3,(H,21,22)
InChIKeyDGBNPVGFUMBWKN-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.41
Rot. Bonds2

About N-(2-methyl-1,3-benzoxazol-6-yl)-2-(trifluoromethyl)benzamide

N-(2-methyl-1,3-benzoxazol-6-yl)-2-(trifluoromethyl)benzamide (PubChem CID 2824074) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-6-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-6-yl)-2-(trifluoromethyl)benzamide
PubChem CID2824074
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC NameN-(2-methyl-1,3-benzoxazol-6-yl)-2-(trifluoromethyl)benzamide
SMILESCc1nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2o1
InChIInChI=1S/C16H11F3N2O2/c1-9-20-13-7-6-10(8-14(13)23-9)21-15(22)11-4-2-3-5-12(11)16(17,18)19/h2-8H,1H3,(H,21,22)
InChIKeyDGBNPVGFUMBWKN-UHFFFAOYSA-N
XLogP4.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-2-(trifluoromethyl)benzamide (CID 2824074) is N-(2-methyl-1,3-benzoxazol-6-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-6-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-6-yl)-2-(trifluoromethyl)benzamide is Cc1nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-6-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is DGBNPVGFUMBWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-9-20-13-7-6-10(8-14(13)23-9)21-15(22)11-4-2-3-5-12(11)16(17,18)19/h2-8H,1H3,(H,21,22).
What are the key properties of N-(2-methyl-1,3-benzoxazol-6-yl)-2-(trifluoromethyl)benzamide?
N-(2-methyl-1,3-benzoxazol-6-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 320.27 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-6-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 2824074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).