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-one

C19H7Cl3F6N4O3 — CID 46235454

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-one
SMILESO=C(COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl)C(F)(F)F
InChIInChI=1S/C19H7Cl3F6N4O3/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/h1-5H,6H2
InChIKeyVBXMUHCAMOXZMZ-UHFFFAOYSA-N
MW559.64 g/mol
LogP6.54
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-one

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-one (PubChem CID 46235454) has the molecular formula C19H7Cl3F6N4O3 and a molecular weight of 559.64 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-one.

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-one
PubChem CID46235454
Molecular FormulaC19H7Cl3F6N4O3
Molecular Weight559.64 g/mol
Exact Mass557.95
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-one
SMILESO=C(COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl)C(F)(F)F
InChIInChI=1S/C19H7Cl3F6N4O3/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/h1-5H,6H2
InChIKeyVBXMUHCAMOXZMZ-UHFFFAOYSA-N
XLogP6.54
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.64
LogP ≤ 56.54
H-Bond Donors ≤ 50
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-one 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-one?
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-one (CID 46235454) 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-one.
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-one?
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-one is O=C(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-one?
The InChIKey is VBXMUHCAMOXZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H7Cl3F6N4O3/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/h1-5H,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-one?
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-one has a molecular weight of 559.64 g/mol, XLogP of 6.54, 5 rotatable bonds, 0 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-one is sourced from PubChem (CID 46235454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).