3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]propane-1,2-diol

C19H12BrCl2F3N4O4 — CID 59377114

IUPAC3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]propane-1,2-diol
SMILESOCC(O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Br)c4n3)n2)cc1Cl
InChIInChI=1S/C19H12BrCl2F3N4O4/c20-11-1-8(19(23,24)25)4-29-5-14(26-17(11)29)18-27-16(28-33-18)10-2-13(22)15(3-12(10)21)32-7-9(31)6-30/h1-5,9,30-31H,6-7H2
InChIKeySZTZCBBMLDFETG-UHFFFAOYSA-N
MW568.13 g/mol
LogP4.87
Rot. Bonds6

About 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]propane-1,2-diol

3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]propane-1,2-diol (PubChem CID 59377114) has the molecular formula C19H12BrCl2F3N4O4 and a molecular weight of 568.13 g/mol. Its IUPAC name is 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]propane-1,2-diol
PubChem CID59377114
Molecular FormulaC19H12BrCl2F3N4O4
Molecular Weight568.13 g/mol
Exact Mass565.94
IUPAC Name3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]propane-1,2-diol
SMILESOCC(O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Br)c4n3)n2)cc1Cl
InChIInChI=1S/C19H12BrCl2F3N4O4/c20-11-1-8(19(23,24)25)4-29-5-14(26-17(11)29)18-27-16(28-33-18)10-2-13(22)15(3-12(10)21)32-7-9(31)6-30/h1-5,9,30-31H,6-7H2
InChIKeySZTZCBBMLDFETG-UHFFFAOYSA-N
XLogP4.87
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.13
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]propane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]propane-1,2-diol?
The IUPAC name of 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]propane-1,2-diol (CID 59377114) is 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]propane-1,2-diol?
The canonical SMILES for 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]propane-1,2-diol is OCC(O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Br)c4n3)n2)cc1Cl.
What is the InChIKey of 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]propane-1,2-diol?
The InChIKey is SZTZCBBMLDFETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrCl2F3N4O4/c20-11-1-8(19(23,24)25)4-29-5-14(26-17(11)29)18-27-16(28-33-18)10-2-13(22)15(3-12(10)21)32-7-9(31)6-30/h1-5,9,30-31H,6-7H2.
What are the key properties of 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]propane-1,2-diol?
3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]propane-1,2-diol has a molecular weight of 568.13 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]propane-1,2-diol is sourced from PubChem (CID 59377114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).