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

C19H13Cl2F3N4O3 — CID 59377106

IUPAC2-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol
SMILESCC(CO)Oc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)ccc4n3)n2)cc1Cl
InChIInChI=1S/C19H13Cl2F3N4O3/c1-9(8-29)30-15-5-12(20)11(4-13(15)21)17-26-18(31-27-17)14-7-28-6-10(19(22,23)24)2-3-16(28)25-14/h2-7,9,29H,8H2,1H3
InChIKeyYBFUWSDKZBJQKW-UHFFFAOYSA-N
MW473.24 g/mol
LogP5.14
Rot. Bonds5

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

2-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol (PubChem CID 59377106) has the molecular formula C19H13Cl2F3N4O3 and a molecular weight of 473.24 g/mol. Its IUPAC name is 2-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol
PubChem CID59377106
Molecular FormulaC19H13Cl2F3N4O3
Molecular Weight473.24 g/mol
Exact Mass472.03
IUPAC Name2-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol
SMILESCC(CO)Oc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)ccc4n3)n2)cc1Cl
InChIInChI=1S/C19H13Cl2F3N4O3/c1-9(8-29)30-15-5-12(20)11(4-13(15)21)17-26-18(31-27-17)14-7-28-6-10(19(22,23)24)2-3-16(28)25-14/h2-7,9,29H,8H2,1H3
InChIKeyYBFUWSDKZBJQKW-UHFFFAOYSA-N
XLogP5.14
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.24
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol?
The IUPAC name of 2-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol (CID 59377106) is 2-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol.
What is the SMILES notation for 2-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol?
The canonical SMILES for 2-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol is CC(CO)Oc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)ccc4n3)n2)cc1Cl.
What is the InChIKey of 2-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol?
The InChIKey is YBFUWSDKZBJQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F3N4O3/c1-9(8-29)30-15-5-12(20)11(4-13(15)21)17-26-18(31-27-17)14-7-28-6-10(19(22,23)24)2-3-16(28)25-14/h2-7,9,29H,8H2,1H3.
What are the key properties of 2-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol?
2-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol has a molecular weight of 473.24 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dichloro-4-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-1-ol is sourced from PubChem (CID 59377106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).