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

C19H10Cl3F3N4O4 — CID 46235599

IUPAC1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-hydroxypropan-2-one
SMILESO=C(CO)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
InChIInChI=1S/C19H10Cl3F3N4O4/c20-11-3-15(32-7-9(31)6-30)12(21)2-10(11)16-27-18(33-28-16)14-5-29-4-8(19(23,24)25)1-13(22)17(29)26-14/h1-5,30H,6-7H2
InChIKeyNVEANBCJWPFBIS-UHFFFAOYSA-N
MW521.67 g/mol
LogP4.97
Rot. Bonds6

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]-3-hydroxypropan-2-one

1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-hydroxypropan-2-one (PubChem CID 46235599) has the molecular formula C19H10Cl3F3N4O4 and a molecular weight of 521.67 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]-3-hydroxypropan-2-one.

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]-3-hydroxypropan-2-one
PubChem CID46235599
Molecular FormulaC19H10Cl3F3N4O4
Molecular Weight521.67 g/mol
Exact Mass519.97
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]-3-hydroxypropan-2-one
SMILESO=C(CO)COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
InChIInChI=1S/C19H10Cl3F3N4O4/c20-11-3-15(32-7-9(31)6-30)12(21)2-10(11)16-27-18(33-28-16)14-5-29-4-8(19(23,24)25)1-13(22)17(29)26-14/h1-5,30H,6-7H2
InChIKeyNVEANBCJWPFBIS-UHFFFAOYSA-N
XLogP4.97
TPSA102.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.67
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]-3-hydroxypropan-2-one?
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]-3-hydroxypropan-2-one (CID 46235599) 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]-3-hydroxypropan-2-one.
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]-3-hydroxypropan-2-one?
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]-3-hydroxypropan-2-one is O=C(CO)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]-3-hydroxypropan-2-one?
The InChIKey is NVEANBCJWPFBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl3F3N4O4/c20-11-3-15(32-7-9(31)6-30)12(21)2-10(11)16-27-18(33-28-16)14-5-29-4-8(19(23,24)25)1-13(22)17(29)26-14/h1-5,30H,6-7H2.
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]-3-hydroxypropan-2-one?
1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-hydroxypropan-2-one has a molecular weight of 521.67 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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]-3-hydroxypropan-2-one is sourced from PubChem (CID 46235599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).