N-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide

C16H11F3N2O2 — CID 17163179

IUPACN-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)C(F)(F)F
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)15(22)20-11-6-7-13-12(9-11)21-14(23-13)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,20,22)
InChIKeyFPGUTEZJOGLWFQ-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.92
Rot. Bonds3

About N-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide

N-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide (PubChem CID 17163179) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is N-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide
PubChem CID17163179
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC NameN-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)C(F)(F)F
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)15(22)20-11-6-7-13-12(9-11)21-14(23-13)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,20,22)
InChIKeyFPGUTEZJOGLWFQ-UHFFFAOYSA-N
XLogP3.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide
CID 30308165
N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide
CID 17163174
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide
CID 3013306
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide
CID 17163242
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide
CID 17163167
N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 17163223
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylsulfanylacetamide
CID 16729603
N-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide
CID 17163160
N-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide
CID 17163233
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17163239
N-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide
CID 17163170
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-chloro-4-nitrobenzamide
CID 17163184

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide (CID 17163179) is N-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide is O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)C(F)(F)F.
What is the InChIKey of N-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide?
The InChIKey is FPGUTEZJOGLWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)15(22)20-11-6-7-13-12(9-11)21-14(23-13)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,20,22).
What are the key properties of N-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide?
N-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide has a molecular weight of 320.27 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 17163179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).