2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C18H15F3N2O2 — CID 108791948

IUPAC2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc2onc(CC(=O)Nc3cccc(C(F)(F)F)c3)c2cc1C
InChIInChI=1S/C18H15F3N2O2/c1-10-6-14-15(23-25-16(14)7-11(10)2)9-17(24)22-13-5-3-4-12(8-13)18(19,20)21/h3-8H,9H2,1-2H3,(H,22,24)
InChIKeyVGVQJEKESYJPIW-UHFFFAOYSA-N
MW348.32 g/mol
LogP4.64
Rot. Bonds3

About 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 108791948) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID108791948
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc2onc(CC(=O)Nc3cccc(C(F)(F)F)c3)c2cc1C
InChIInChI=1S/C18H15F3N2O2/c1-10-6-14-15(23-25-16(14)7-11(10)2)9-17(24)22-13-5-3-4-12(8-13)18(19,20)21/h3-8H,9H2,1-2H3,(H,22,24)
InChIKeyVGVQJEKESYJPIW-UHFFFAOYSA-N
XLogP4.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2,6-dimethylphenyl)acetamide
CID 108792145
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 109009780
3-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-4-methylbenzoic acid
CID 108804310
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-hexoxyphenyl)acetamide
CID 108792083
N-(3-fluoro-4-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519775
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 108739041
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 108792033
2-(1,3-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110686374
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
CID 89006052
CID 89006052
2-(3-oxo-4H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3323158
3-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoic acid
CID 108794443

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 108791948) is 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1cc2onc(CC(=O)Nc3cccc(C(F)(F)F)c3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VGVQJEKESYJPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-10-6-14-15(23-25-16(14)7-11(10)2)9-17(24)22-13-5-3-4-12(8-13)18(19,20)21/h3-8H,9H2,1-2H3,(H,22,24).
What are the key properties of 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 348.32 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 108791948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).