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

C19H9Cl3F6N4O3 — CID 46235912

IUPAC3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1,1,1-trifluoropropan-2-ol
SMILESOC(COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl)C(F)(F)F
InChIInChI=1S/C19H9Cl3F6N4O3/c20-9-3-13(34-6-14(33)19(26,27)28)10(21)2-8(9)15-30-17(35-31-15)12-5-32-4-7(18(23,24)25)1-11(22)16(32)29-12/h1-5,14,33H,6H2
InChIKeyLZFLCXLICDJYNM-UHFFFAOYSA-N
MW561.65 g/mol
LogP6.33
Rot. Bonds5

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

3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1,1,1-trifluoropropan-2-ol (PubChem CID 46235912) has the molecular formula C19H9Cl3F6N4O3 and a molecular weight of 561.65 g/mol. Its IUPAC name is 3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1,1,1-trifluoropropan-2-ol
PubChem CID46235912
Molecular FormulaC19H9Cl3F6N4O3
Molecular Weight561.65 g/mol
Exact Mass559.96
IUPAC Name3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1,1,1-trifluoropropan-2-ol
SMILESOC(COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl)C(F)(F)F
InChIInChI=1S/C19H9Cl3F6N4O3/c20-9-3-13(34-6-14(33)19(26,27)28)10(21)2-8(9)15-30-17(35-31-15)12-5-32-4-7(18(23,24)25)1-11(22)16(32)29-12/h1-5,14,33H,6H2
InChIKeyLZFLCXLICDJYNM-UHFFFAOYSA-N
XLogP6.33
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.65
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1,1,1-trifluoropropan-2-ol (CID 46235912) is 3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1,1,1-trifluoropropan-2-ol is OC(COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl)C(F)(F)F.
What is the InChIKey of 3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1,1,1-trifluoropropan-2-ol?
The InChIKey is LZFLCXLICDJYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl3F6N4O3/c20-9-3-13(34-6-14(33)19(26,27)28)10(21)2-8(9)15-30-17(35-31-15)12-5-32-4-7(18(23,24)25)1-11(22)16(32)29-12/h1-5,14,33H,6H2.
What are the key properties of 3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1,1,1-trifluoropropan-2-ol?
3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1,1,1-trifluoropropan-2-ol has a molecular weight of 561.65 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 46235912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).