6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b][1,3]oxazole

C19H14F2N6O — CID 25134688

IUPAC6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b][1,3]oxazole
SMILESCC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12
InChIInChI=1S/C19H14F2N6O/c1-10(2)18-24-23-15-6-5-14(25-27(15)18)17-16(22-19-26(17)7-8-28-19)12-4-3-11(20)9-13(12)21/h3-10H,1-2H3
InChIKeyAKOITYPGORWENQ-UHFFFAOYSA-N
MW380.36 g/mol
LogP4.10
Rot. Bonds3

About 6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b][1,3]oxazole

6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b][1,3]oxazole (PubChem CID 25134688) has the molecular formula C19H14F2N6O and a molecular weight of 380.36 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b][1,3]oxazole
PubChem CID25134688
Molecular FormulaC19H14F2N6O
Molecular Weight380.36 g/mol
Exact Mass380.12
IUPAC Name6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b][1,3]oxazole
SMILESCC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12
InChIInChI=1S/C19H14F2N6O/c1-10(2)18-24-23-15-6-5-14(25-27(15)18)17-16(22-19-26(17)7-8-28-19)12-4-3-11(20)9-13(12)21/h3-10H,1-2H3
InChIKeyAKOITYPGORWENQ-UHFFFAOYSA-N
XLogP4.10
TPSA73.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b][1,3]oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b][1,3]oxazole (CID 25134688) is 6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b][1,3]oxazole is CC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12.
What is the InChIKey of 6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is AKOITYPGORWENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O/c1-10(2)18-24-23-15-6-5-14(25-27(15)18)17-16(22-19-26(17)7-8-28-19)12-4-3-11(20)9-13(12)21/h3-10H,1-2H3.
What are the key properties of 6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b][1,3]oxazole?
6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 380.36 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 25134688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).