1-[6-[[3-(trifluoromethyl)phenyl]methoxy]-1,2-benzoxazol-3-yl]ethanone

C17H12F3NO3 — CID 19068185

IUPAC1-[6-[[3-(trifluoromethyl)phenyl]methoxy]-1,2-benzoxazol-3-yl]ethanone
SMILESCC(=O)c1noc2cc(OCc3cccc(C(F)(F)F)c3)ccc12
InChIInChI=1S/C17H12F3NO3/c1-10(22)16-14-6-5-13(8-15(14)24-21-16)23-9-11-3-2-4-12(7-11)17(18,19)20/h2-8H,9H2,1H3
InChIKeyCGHRRYFFOUXJLL-UHFFFAOYSA-N
MW335.28 g/mol
LogP4.63
Rot. Bonds4

About 1-[6-[[3-(trifluoromethyl)phenyl]methoxy]-1,2-benzoxazol-3-yl]ethanone

1-[6-[[3-(trifluoromethyl)phenyl]methoxy]-1,2-benzoxazol-3-yl]ethanone (PubChem CID 19068185) has the molecular formula C17H12F3NO3 and a molecular weight of 335.28 g/mol. Its IUPAC name is 1-[6-[[3-(trifluoromethyl)phenyl]methoxy]-1,2-benzoxazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-[[3-(trifluoromethyl)phenyl]methoxy]-1,2-benzoxazol-3-yl]ethanone
PubChem CID19068185
Molecular FormulaC17H12F3NO3
Molecular Weight335.28 g/mol
Exact Mass335.08
IUPAC Name1-[6-[[3-(trifluoromethyl)phenyl]methoxy]-1,2-benzoxazol-3-yl]ethanone
SMILESCC(=O)c1noc2cc(OCc3cccc(C(F)(F)F)c3)ccc12
InChIInChI=1S/C17H12F3NO3/c1-10(22)16-14-6-5-13(8-15(14)24-21-16)23-9-11-3-2-4-12(7-11)17(18,19)20/h2-8H,9H2,1H3
InChIKeyCGHRRYFFOUXJLL-UHFFFAOYSA-N
XLogP4.63
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[3-(trifluoromethyl)phenyl]methoxy]-1,2-benzoxazol-3-yl]ethanone?
The IUPAC name of 1-[6-[[3-(trifluoromethyl)phenyl]methoxy]-1,2-benzoxazol-3-yl]ethanone (CID 19068185) is 1-[6-[[3-(trifluoromethyl)phenyl]methoxy]-1,2-benzoxazol-3-yl]ethanone.
What is the SMILES notation for 1-[6-[[3-(trifluoromethyl)phenyl]methoxy]-1,2-benzoxazol-3-yl]ethanone?
The canonical SMILES for 1-[6-[[3-(trifluoromethyl)phenyl]methoxy]-1,2-benzoxazol-3-yl]ethanone is CC(=O)c1noc2cc(OCc3cccc(C(F)(F)F)c3)ccc12.
What is the InChIKey of 1-[6-[[3-(trifluoromethyl)phenyl]methoxy]-1,2-benzoxazol-3-yl]ethanone?
The InChIKey is CGHRRYFFOUXJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO3/c1-10(22)16-14-6-5-13(8-15(14)24-21-16)23-9-11-3-2-4-12(7-11)17(18,19)20/h2-8H,9H2,1H3.
What are the key properties of 1-[6-[[3-(trifluoromethyl)phenyl]methoxy]-1,2-benzoxazol-3-yl]ethanone?
1-[6-[[3-(trifluoromethyl)phenyl]methoxy]-1,2-benzoxazol-3-yl]ethanone has a molecular weight of 335.28 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[3-(trifluoromethyl)phenyl]methoxy]-1,2-benzoxazol-3-yl]ethanone is sourced from PubChem (CID 19068185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).