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-methylpropane-1,2-diol

C20H14Cl3F3N4O4 — CID 59377037

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-methylpropane-1,2-diol
SMILESCC(O)(CO)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
InChIInChI=1S/C20H14Cl3F3N4O4/c1-19(32,7-31)8-33-15-4-11(21)10(3-12(15)22)16-28-18(34-29-16)14-6-30-5-9(20(24,25)26)2-13(23)17(30)27-14/h2-6,31-32H,7-8H2,1H3
InChIKeyWVIYUCRWMSDBQO-UHFFFAOYSA-N
MW537.71 g/mol
LogP5.15
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-methylpropane-1,2-diol

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-methylpropane-1,2-diol (PubChem CID 59377037) has the molecular formula C20H14Cl3F3N4O4 and a molecular weight of 537.71 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-methylpropane-1,2-diol.

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-methylpropane-1,2-diol
PubChem CID59377037
Molecular FormulaC20H14Cl3F3N4O4
Molecular Weight537.71 g/mol
Exact Mass536.00
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-methylpropane-1,2-diol
SMILESCC(O)(CO)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
InChIInChI=1S/C20H14Cl3F3N4O4/c1-19(32,7-31)8-33-15-4-11(21)10(3-12(15)22)16-28-18(34-29-16)14-6-30-5-9(20(24,25)26)2-13(23)17(30)27-14/h2-6,31-32H,7-8H2,1H3
InChIKeyWVIYUCRWMSDBQO-UHFFFAOYSA-N
XLogP5.15
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.71
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-methylpropane-1,2-diol 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-methylpropane-1,2-diol?
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-methylpropane-1,2-diol (CID 59377037) 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-methylpropane-1,2-diol.
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-methylpropane-1,2-diol?
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-methylpropane-1,2-diol is CC(O)(CO)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-methylpropane-1,2-diol?
The InChIKey is WVIYUCRWMSDBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl3F3N4O4/c1-19(32,7-31)8-33-15-4-11(21)10(3-12(15)22)16-28-18(34-29-16)14-6-30-5-9(20(24,25)26)2-13(23)17(30)27-14/h2-6,31-32H,7-8H2,1H3.
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-methylpropane-1,2-diol?
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-methylpropane-1,2-diol has a molecular weight of 537.71 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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-methylpropane-1,2-diol is sourced from PubChem (CID 59377037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).