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

C19H10Cl3F5N4O3 — CID 57461216

IUPAC3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
InChIInChI=1S/C19H10Cl3F5N4O3/c20-10-3-14(33-7-18(23,24)6-32)11(21)2-9(10)15-29-17(34-30-15)13-5-31-4-8(19(25,26)27)1-12(22)16(31)28-13/h1-5,32H,6-7H2
InChIKeyCUMZUBBDKWQIIQ-UHFFFAOYSA-N
MW543.66 g/mol
LogP6.04
Rot. Bonds6

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]-2,2-difluoropropan-1-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]-2,2-difluoropropan-1-ol (PubChem CID 57461216) has the molecular formula C19H10Cl3F5N4O3 and a molecular weight of 543.66 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]-2,2-difluoropropan-1-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]-2,2-difluoropropan-1-ol
PubChem CID57461216
Molecular FormulaC19H10Cl3F5N4O3
Molecular Weight543.66 g/mol
Exact Mass541.97
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]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
InChIInChI=1S/C19H10Cl3F5N4O3/c20-10-3-14(33-7-18(23,24)6-32)11(21)2-9(10)15-29-17(34-30-15)13-5-31-4-8(19(25,26)27)1-12(22)16(31)28-13/h1-5,32H,6-7H2
InChIKeyCUMZUBBDKWQIIQ-UHFFFAOYSA-N
XLogP6.04
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.66
LogP ≤ 56.04
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]-2,2-difluoropropan-1-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]-2,2-difluoropropan-1-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]-2,2-difluoropropan-1-ol (CID 57461216) 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]-2,2-difluoropropan-1-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]-2,2-difluoropropan-1-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]-2,2-difluoropropan-1-ol is OCC(F)(F)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl.
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]-2,2-difluoropropan-1-ol?
The InChIKey is CUMZUBBDKWQIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl3F5N4O3/c20-10-3-14(33-7-18(23,24)6-32)11(21)2-9(10)15-29-17(34-30-15)13-5-31-4-8(19(25,26)27)1-12(22)16(31)28-13/h1-5,32H,6-7H2.
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]-2,2-difluoropropan-1-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]-2,2-difluoropropan-1-ol has a molecular weight of 543.66 g/mol, XLogP of 6.04, 6 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]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 57461216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).