N-ethyl-2,2,2-trifluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

C18H15F3N2O2 — CID 91677723

IUPACN-ethyl-2,2,2-trifluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCCN(C(=O)C(F)(F)F)c1cccc(-c2nc3cc(C)ccc3o2)c1
InChIInChI=1S/C18H15F3N2O2/c1-3-23(17(24)18(19,20)21)13-6-4-5-12(10-13)16-22-14-9-11(2)7-8-15(14)25-16/h4-10H,3H2,1-2H3
InChIKeyIIWMOVKDCJERDC-UHFFFAOYSA-N
MW348.32 g/mol
LogP4.72
Rot. Bonds3

About N-ethyl-2,2,2-trifluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

N-ethyl-2,2,2-trifluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 91677723) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
PubChem CID91677723
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC NameN-ethyl-2,2,2-trifluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCCN(C(=O)C(F)(F)F)c1cccc(-c2nc3cc(C)ccc3o2)c1
InChIInChI=1S/C18H15F3N2O2/c1-3-23(17(24)18(19,20)21)13-6-4-5-12(10-13)16-22-14-9-11(2)7-8-15(14)25-16/h4-10H,3H2,1-2H3
InChIKeyIIWMOVKDCJERDC-UHFFFAOYSA-N
XLogP4.72
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-N-ethyl-2,2,2-trifluoroacetamide
CID 91677726
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
4-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxylic acid
CID 175214662
N-[2-(3,4-dimethoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]-N-ethyl-2,2,2-trifluoroacetamide
CID 91677651
5-methyl-2-[3-(1,2,4-triazol-4-yl)phenyl]-1,3-benzoxazole
CID 50849470
1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one
CID 82305496
4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 696909
4-heptoxy-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3126596
2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089200
N-ethyl-5-methyl-N-phenylfuro[3,2-b]pyridine-2-carboxamide
CID 16906958
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoro-N-methylacetamide
CID 91676571

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide (CID 91677723) is N-ethyl-2,2,2-trifluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide is CCN(C(=O)C(F)(F)F)c1cccc(-c2nc3cc(C)ccc3o2)c1.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The InChIKey is IIWMOVKDCJERDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-3-23(17(24)18(19,20)21)13-6-4-5-12(10-13)16-22-14-9-11(2)7-8-15(14)25-16/h4-10H,3H2,1-2H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
N-ethyl-2,2,2-trifluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 348.32 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 91677723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).