2-[2-(trifluoromethyl)quinolin-7-yl]oxy-1,3-benzoxazole

C17H9F3N2O2 — CID 47079119

IUPAC2-[2-(trifluoromethyl)quinolin-7-yl]oxy-1,3-benzoxazole
SMILESFC(F)(F)c1ccc2ccc(Oc3nc4ccccc4o3)cc2n1
InChIInChI=1S/C17H9F3N2O2/c18-17(19,20)15-8-6-10-5-7-11(9-13(10)21-15)23-16-22-12-3-1-2-4-14(12)24-16/h1-9H
InChIKeyZNUVOMAUFULCTN-UHFFFAOYSA-N
MW330.27 g/mol
LogP5.19
Rot. Bonds2

About 2-[2-(trifluoromethyl)quinolin-7-yl]oxy-1,3-benzoxazole

2-[2-(trifluoromethyl)quinolin-7-yl]oxy-1,3-benzoxazole (PubChem CID 47079119) has the molecular formula C17H9F3N2O2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)quinolin-7-yl]oxy-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)quinolin-7-yl]oxy-1,3-benzoxazole
PubChem CID47079119
Molecular FormulaC17H9F3N2O2
Molecular Weight330.27 g/mol
Exact Mass330.06
IUPAC Name2-[2-(trifluoromethyl)quinolin-7-yl]oxy-1,3-benzoxazole
SMILESFC(F)(F)c1ccc2ccc(Oc3nc4ccccc4o3)cc2n1
InChIInChI=1S/C17H9F3N2O2/c18-17(19,20)15-8-6-10-5-7-11(9-13(10)21-15)23-16-22-12-3-1-2-4-14(12)24-16/h1-9H
InChIKeyZNUVOMAUFULCTN-UHFFFAOYSA-N
XLogP5.19
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.27
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(trifluoromethyl)quinolin-7-yl]oxy-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899
2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole
CID 145224896
[3-(1,3-benzoxazol-2-yloxy)phenyl]methanol
CID 79869656
2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole
CID 104707726
6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one
CID 75526069
5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid
CID 63850200
3-(1,3-benzoxazol-2-yloxy)-5-bromoaniline
CID 103589190
2-(trifluoromethyl)quinolin-7-ol
CID 135463587
2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid
CID 61395477
2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)-5-[2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)-1,3-benzoxazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazole
CID 100919145
2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline
CID 102703092
4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline
CID 114417599

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)quinolin-7-yl]oxy-1,3-benzoxazole?
The IUPAC name of 2-[2-(trifluoromethyl)quinolin-7-yl]oxy-1,3-benzoxazole (CID 47079119) is 2-[2-(trifluoromethyl)quinolin-7-yl]oxy-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(trifluoromethyl)quinolin-7-yl]oxy-1,3-benzoxazole?
The canonical SMILES for 2-[2-(trifluoromethyl)quinolin-7-yl]oxy-1,3-benzoxazole is FC(F)(F)c1ccc2ccc(Oc3nc4ccccc4o3)cc2n1.
What is the InChIKey of 2-[2-(trifluoromethyl)quinolin-7-yl]oxy-1,3-benzoxazole?
The InChIKey is ZNUVOMAUFULCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N2O2/c18-17(19,20)15-8-6-10-5-7-11(9-13(10)21-15)23-16-22-12-3-1-2-4-14(12)24-16/h1-9H.
What are the key properties of 2-[2-(trifluoromethyl)quinolin-7-yl]oxy-1,3-benzoxazole?
2-[2-(trifluoromethyl)quinolin-7-yl]oxy-1,3-benzoxazole has a molecular weight of 330.27 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)quinolin-7-yl]oxy-1,3-benzoxazole is sourced from PubChem (CID 47079119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).