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

C19H14F2N6O2 — CID 25167840

IUPAC2-[6-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-2-ol
SMILESCC(C)(O)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12
InChIInChI=1S/C19H14F2N6O2/c1-19(2,28)17-24-23-14-6-5-13(25-27(14)17)16-15(22-18-26(16)7-8-29-18)11-4-3-10(20)9-12(11)21/h3-9,28H,1-2H3
InChIKeyQFDLVEUFUHCRNH-UHFFFAOYSA-N
MW396.36 g/mol
LogP3.20
Rot. Bonds3

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

2-[6-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-2-ol (PubChem CID 25167840) has the molecular formula C19H14F2N6O2 and a molecular weight of 396.36 g/mol. Its IUPAC name is 2-[6-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-2-ol
PubChem CID25167840
Molecular FormulaC19H14F2N6O2
Molecular Weight396.36 g/mol
Exact Mass396.11
IUPAC Name2-[6-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-2-ol
SMILESCC(C)(O)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12
InChIInChI=1S/C19H14F2N6O2/c1-19(2,28)17-24-23-14-6-5-13(25-27(14)17)16-15(22-18-26(16)7-8-29-18)11-4-3-10(20)9-12(11)21/h3-9,28H,1-2H3
InChIKeyQFDLVEUFUHCRNH-UHFFFAOYSA-N
XLogP3.20
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-2-ol?
The IUPAC name of 2-[6-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-2-ol (CID 25167840) is 2-[6-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[6-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-2-ol?
The canonical SMILES for 2-[6-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-2-ol is CC(C)(O)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12.
What is the InChIKey of 2-[6-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-2-ol?
The InChIKey is QFDLVEUFUHCRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O2/c1-19(2,28)17-24-23-14-6-5-13(25-27(14)17)16-15(22-18-26(16)7-8-29-18)11-4-3-10(20)9-12(11)21/h3-9,28H,1-2H3.
What are the key properties of 2-[6-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-2-ol?
2-[6-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-2-ol has a molecular weight of 396.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-2-ol is sourced from PubChem (CID 25167840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).