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

C19H13Cl3F3N5O3 — CID 46234376

IUPAC1-amino-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol
SMILESNCC(O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
InChIInChI=1S/C19H13Cl3F3N5O3/c20-11-3-15(32-7-9(31)4-26)12(21)2-10(11)16-28-18(33-29-16)14-6-30-5-8(19(23,24)25)1-13(22)17(30)27-14/h1-3,5-6,9,31H,4,7,26H2
InChIKeyBYFXITIYMIMKGI-UHFFFAOYSA-N
MW522.70 g/mol
LogP4.73
Rot. Bonds6

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

1-amino-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol (PubChem CID 46234376) has the molecular formula C19H13Cl3F3N5O3 and a molecular weight of 522.70 g/mol. Its IUPAC name is 1-amino-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol
PubChem CID46234376
Molecular FormulaC19H13Cl3F3N5O3
Molecular Weight522.70 g/mol
Exact Mass521.00
IUPAC Name1-amino-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol
SMILESNCC(O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
InChIInChI=1S/C19H13Cl3F3N5O3/c20-11-3-15(32-7-9(31)4-26)12(21)2-10(11)16-28-18(33-29-16)14-6-30-5-8(19(23,24)25)1-13(22)17(30)27-14/h1-3,5-6,9,31H,4,7,26H2
InChIKeyBYFXITIYMIMKGI-UHFFFAOYSA-N
XLogP4.73
TPSA111.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.70
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-amino-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol?
The IUPAC name of 1-amino-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol (CID 46234376) is 1-amino-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-amino-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol?
The canonical SMILES for 1-amino-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol is NCC(O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl.
What is the InChIKey of 1-amino-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol?
The InChIKey is BYFXITIYMIMKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3F3N5O3/c20-11-3-15(32-7-9(31)4-26)12(21)2-10(11)16-28-18(33-29-16)14-6-30-5-8(19(23,24)25)1-13(22)17(30)27-14/h1-3,5-6,9,31H,4,7,26H2.
What are the key properties of 1-amino-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol?
1-amino-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol has a molecular weight of 522.70 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 46234376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).