2-[5-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methoxy]indol-1-yl]acetic acid

C21H15F3N2O4 — CID 22504766

IUPAC2-[5-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methoxy]indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2cc(OCc3cc(-c4ccc(C(F)(F)F)cc4)on3)ccc21
InChIInChI=1S/C21H15F3N2O4/c22-21(23,24)15-3-1-13(2-4-15)19-10-16(25-30-19)12-29-17-5-6-18-14(9-17)7-8-26(18)11-20(27)28/h1-10H,11-12H2,(H,27,28)
InChIKeyGPOKBAQNQTXHEM-UHFFFAOYSA-N
MW416.36 g/mol
LogP4.98
Rot. Bonds6

About 2-[5-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methoxy]indol-1-yl]acetic acid

2-[5-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methoxy]indol-1-yl]acetic acid (PubChem CID 22504766) has the molecular formula C21H15F3N2O4 and a molecular weight of 416.36 g/mol. Its IUPAC name is 2-[5-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methoxy]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methoxy]indol-1-yl]acetic acid
PubChem CID22504766
Molecular FormulaC21H15F3N2O4
Molecular Weight416.36 g/mol
Exact Mass416.10
IUPAC Name2-[5-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methoxy]indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2cc(OCc3cc(-c4ccc(C(F)(F)F)cc4)on3)ccc21
InChIInChI=1S/C21H15F3N2O4/c22-21(23,24)15-3-1-13(2-4-15)19-10-16(25-30-19)12-29-17-5-6-18-14(9-17)7-8-26(18)11-20(27)28/h1-10H,11-12H2,(H,27,28)
InChIKeyGPOKBAQNQTXHEM-UHFFFAOYSA-N
XLogP4.98
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methoxy]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methoxy]indol-1-yl]acetic acid (CID 22504766) is 2-[5-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methoxy]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methoxy]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methoxy]indol-1-yl]acetic acid is O=C(O)Cn1ccc2cc(OCc3cc(-c4ccc(C(F)(F)F)cc4)on3)ccc21.
What is the InChIKey of 2-[5-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methoxy]indol-1-yl]acetic acid?
The InChIKey is GPOKBAQNQTXHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O4/c22-21(23,24)15-3-1-13(2-4-15)19-10-16(25-30-19)12-29-17-5-6-18-14(9-17)7-8-26(18)11-20(27)28/h1-10H,11-12H2,(H,27,28).
What are the key properties of 2-[5-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methoxy]indol-1-yl]acetic acid?
2-[5-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methoxy]indol-1-yl]acetic acid has a molecular weight of 416.36 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methoxy]indol-1-yl]acetic acid is sourced from PubChem (CID 22504766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).