4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole

C15H8F2N4O — CID 135424633

IUPAC4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole
SMILESFc1cccc(-c2cnoc2-c2c[nH]c3nnccc23)c1F
InChIInChI=1S/C15H8F2N4O/c16-12-3-1-2-8(13(12)17)11-7-20-22-14(11)10-6-18-15-9(10)4-5-19-21-15/h1-7H,(H,18,21)
InChIKeyIHYFCWAPFGBAIM-UHFFFAOYSA-N
MW298.25 g/mol
LogP3.56
Rot. Bonds2

About 4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole

4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole (PubChem CID 135424633) has the molecular formula C15H8F2N4O and a molecular weight of 298.25 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole
PubChem CID135424633
Molecular FormulaC15H8F2N4O
Molecular Weight298.25 g/mol
Exact Mass298.07
IUPAC Name4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole
SMILESFc1cccc(-c2cnoc2-c2c[nH]c3nnccc23)c1F
InChIInChI=1S/C15H8F2N4O/c16-12-3-1-2-8(13(12)17)11-7-20-22-14(11)10-6-18-15-9(10)4-5-19-21-15/h1-7H,(H,18,21)
InChIKeyIHYFCWAPFGBAIM-UHFFFAOYSA-N
XLogP3.56
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole?
The IUPAC name of 4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole (CID 135424633) is 4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole.
What is the SMILES notation for 4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole?
The canonical SMILES for 4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole is Fc1cccc(-c2cnoc2-c2c[nH]c3nnccc23)c1F.
What is the InChIKey of 4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole?
The InChIKey is IHYFCWAPFGBAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N4O/c16-12-3-1-2-8(13(12)17)11-7-20-22-14(11)10-6-18-15-9(10)4-5-19-21-15/h1-7H,(H,18,21).
What are the key properties of 4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole?
4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole has a molecular weight of 298.25 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole is sourced from PubChem (CID 135424633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).