2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide

C16H11F3N2O2 — CID 108803187

IUPAC2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1ccc2onc(CC(=O)Nc3ccc(F)c(F)c3F)c2c1
InChIInChI=1S/C16H11F3N2O2/c1-8-2-5-13-9(6-8)12(21-23-13)7-14(22)20-11-4-3-10(17)15(18)16(11)19/h2-6H,7H2,1H3,(H,20,22)
InChIKeyFZUGUKRGRKWEOM-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.73
Rot. Bonds3

About 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide

2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 108803187) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID108803187
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1ccc2onc(CC(=O)Nc3ccc(F)c(F)c3F)c2c1
InChIInChI=1S/C16H11F3N2O2/c1-8-2-5-13-9(6-8)12(21-23-13)7-14(22)20-11-4-3-10(17)15(18)16(11)19/h2-6H,7H2,1H3,(H,20,22)
InChIKeyFZUGUKRGRKWEOM-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108803279
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
N-(3-fluoro-4-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519775
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519804
2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoic acid
CID 108803274
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
N-[(4-chlorophenyl)methyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519867
2-(5-methyl-1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide
CID 22519774
2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 16878555
propyl 4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108803227
2-(5-methyl-1,2-benzoxazol-3-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 108803210
N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519887

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide (CID 108803187) is 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide is Cc1ccc2onc(CC(=O)Nc3ccc(F)c(F)c3F)c2c1.
What is the InChIKey of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is FZUGUKRGRKWEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-8-2-5-13-9(6-8)12(21-23-13)7-14(22)20-11-4-3-10(17)15(18)16(11)19/h2-6H,7H2,1H3,(H,20,22).
What are the key properties of 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 320.27 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 108803187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).