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

C18H12Cl2F3N5O2 — CID 46234056

IUPAC2-[3-chloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]ethanamine
SMILESNCCOc1ccc(-c2nc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)no2)c(Cl)c1
InChIInChI=1S/C18H12Cl2F3N5O2/c19-12-6-10(29-4-3-24)1-2-11(12)17-26-15(27-30-17)14-8-28-7-9(18(21,22)23)5-13(20)16(28)25-14/h1-2,5-8H,3-4,24H2
InChIKeyILGIPWSJHCFVTD-UHFFFAOYSA-N
MW458.23 g/mol
LogP4.71
Rot. Bonds5

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

2-[3-chloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]ethanamine (PubChem CID 46234056) has the molecular formula C18H12Cl2F3N5O2 and a molecular weight of 458.23 g/mol. Its IUPAC name is 2-[3-chloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]ethanamine
PubChem CID46234056
Molecular FormulaC18H12Cl2F3N5O2
Molecular Weight458.23 g/mol
Exact Mass457.03
IUPAC Name2-[3-chloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]ethanamine
SMILESNCCOc1ccc(-c2nc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)no2)c(Cl)c1
InChIInChI=1S/C18H12Cl2F3N5O2/c19-12-6-10(29-4-3-24)1-2-11(12)17-26-15(27-30-17)14-8-28-7-9(18(21,22)23)5-13(20)16(28)25-14/h1-2,5-8H,3-4,24H2
InChIKeyILGIPWSJHCFVTD-UHFFFAOYSA-N
XLogP4.71
TPSA91.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.23
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]ethanamine?
The IUPAC name of 2-[3-chloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]ethanamine (CID 46234056) is 2-[3-chloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]ethanamine.
What is the SMILES notation for 2-[3-chloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]ethanamine?
The canonical SMILES for 2-[3-chloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]ethanamine is NCCOc1ccc(-c2nc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)no2)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]ethanamine?
The InChIKey is ILGIPWSJHCFVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F3N5O2/c19-12-6-10(29-4-3-24)1-2-11(12)17-26-15(27-30-17)14-8-28-7-9(18(21,22)23)5-13(20)16(28)25-14/h1-2,5-8H,3-4,24H2.
What are the key properties of 2-[3-chloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]ethanamine?
2-[3-chloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]ethanamine has a molecular weight of 458.23 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenoxy]ethanamine is sourced from PubChem (CID 46234056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).