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

C20H14Cl3F3N4O3 — CID 46234693

IUPAC1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-2-ol
SMILESCC(C)(O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
InChIInChI=1S/C20H14Cl3F3N4O3/c1-19(2,31)8-32-15-5-11(21)10(4-12(15)22)16-28-18(33-29-16)14-7-30-6-9(20(24,25)26)3-13(23)17(30)27-14/h3-7,31H,8H2,1-2H3
InChIKeyHELNNNQOJQVZCX-UHFFFAOYSA-N
MW521.71 g/mol
LogP6.18
Rot. Bonds5

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

1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-2-ol (PubChem CID 46234693) has the molecular formula C20H14Cl3F3N4O3 and a molecular weight of 521.71 g/mol. Its IUPAC name is 1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-2-ol
PubChem CID46234693
Molecular FormulaC20H14Cl3F3N4O3
Molecular Weight521.71 g/mol
Exact Mass520.01
IUPAC Name1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-2-ol
SMILESCC(C)(O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
InChIInChI=1S/C20H14Cl3F3N4O3/c1-19(2,31)8-32-15-5-11(21)10(4-12(15)22)16-28-18(33-29-16)14-7-30-6-9(20(24,25)26)3-13(23)17(30)27-14/h3-7,31H,8H2,1-2H3
InChIKeyHELNNNQOJQVZCX-UHFFFAOYSA-N
XLogP6.18
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.71
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-2-ol (CID 46234693) is 1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-2-ol is CC(C)(O)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl.
What is the InChIKey of 1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-2-ol?
The InChIKey is HELNNNQOJQVZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl3F3N4O3/c1-19(2,31)8-32-15-5-11(21)10(4-12(15)22)16-28-18(33-29-16)14-7-30-6-9(20(24,25)26)3-13(23)17(30)27-14/h3-7,31H,8H2,1-2H3.
What are the key properties of 1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-2-ol?
1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-2-ol has a molecular weight of 521.71 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 46234693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).