3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid

C19H11Cl2F3N4O3 — CID 46235452

IUPAC3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
InChIInChI=1S/C19H11Cl2F3N4O3/c20-12-5-10(2-1-9(12)3-4-15(29)30)16-26-18(31-27-16)14-8-28-7-11(19(22,23)24)6-13(21)17(28)25-14/h1-2,5-8H,3-4H2,(H,29,30)
InChIKeyFWCRTQPHBSUULN-UHFFFAOYSA-N
MW471.22 g/mol
LogP5.39
Rot. Bonds5

About 3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid

3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid (PubChem CID 46235452) has the molecular formula C19H11Cl2F3N4O3 and a molecular weight of 471.22 g/mol. Its IUPAC name is 3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
PubChem CID46235452
Molecular FormulaC19H11Cl2F3N4O3
Molecular Weight471.22 g/mol
Exact Mass470.02
IUPAC Name3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
InChIInChI=1S/C19H11Cl2F3N4O3/c20-12-5-10(2-1-9(12)3-4-15(29)30)16-26-18(31-27-16)14-8-28-7-11(19(22,23)24)6-13(21)17(28)25-14/h1-2,5-8H,3-4H2,(H,29,30)
InChIKeyFWCRTQPHBSUULN-UHFFFAOYSA-N
XLogP5.39
TPSA93.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.22
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid?
The IUPAC name of 3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid (CID 46235452) is 3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid?
The canonical SMILES for 3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid is O=C(O)CCc1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl.
What is the InChIKey of 3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid?
The InChIKey is FWCRTQPHBSUULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F3N4O3/c20-12-5-10(2-1-9(12)3-4-15(29)30)16-26-18(31-27-16)14-8-28-7-11(19(22,23)24)6-13(21)17(28)25-14/h1-2,5-8H,3-4H2,(H,29,30).
What are the key properties of 3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid?
3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid has a molecular weight of 471.22 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid is sourced from PubChem (CID 46235452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).