2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-methylpropanoic acid

C18H22F3NO4 — CID 10292707

IUPAC2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-methylpropanoic acid
SMILESCCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C)(C)C(=O)O
InChIInChI=1S/C18H22F3NO4/c1-5-7-10-9-12-14(26-22-15(12)18(19,20)21)11(8-6-2)13(10)25-17(3,4)16(23)24/h9H,5-8H2,1-4H3,(H,23,24)
InChIKeyRUIWUDJYVYEUJX-UHFFFAOYSA-N
MW373.37 g/mol
LogP4.99
Rot. Bonds7

About 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-methylpropanoic acid

2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-methylpropanoic acid (PubChem CID 10292707) has the molecular formula C18H22F3NO4 and a molecular weight of 373.37 g/mol. Its IUPAC name is 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-methylpropanoic acid
PubChem CID10292707
Molecular FormulaC18H22F3NO4
Molecular Weight373.37 g/mol
Exact Mass373.15
IUPAC Name2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-methylpropanoic acid
SMILESCCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C)(C)C(=O)O
InChIInChI=1S/C18H22F3NO4/c1-5-7-10-9-12-14(26-22-15(12)18(19,20)21)11(8-6-2)13(10)25-17(3,4)16(23)24/h9H,5-8H2,1-4H3,(H,23,24)
InChIKeyRUIWUDJYVYEUJX-UHFFFAOYSA-N
XLogP4.99
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-methylpropanoic acid?
The IUPAC name of 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-methylpropanoic acid (CID 10292707) is 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-methylpropanoic acid is CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C)(C)C(=O)O.
What is the InChIKey of 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-methylpropanoic acid?
The InChIKey is RUIWUDJYVYEUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO4/c1-5-7-10-9-12-14(26-22-15(12)18(19,20)21)11(8-6-2)13(10)25-17(3,4)16(23)24/h9H,5-8H2,1-4H3,(H,23,24).
What are the key properties of 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-methylpropanoic acid?
2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-methylpropanoic acid has a molecular weight of 373.37 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-methylpropanoic acid is sourced from PubChem (CID 10292707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).