3-(2,4-difluorophenyl)-N-[2-(1-methylpyrazol-4-yl)-2-pyridazin-3-ylpropyl]-1,2-oxazole-5-carboxamide

C21H18F2N6O2 — CID 167451981

IUPAC3-(2,4-difluorophenyl)-N-[2-(1-methylpyrazol-4-yl)-2-pyridazin-3-ylpropyl]-1,2-oxazole-5-carboxamide
SMILESCn1cc(C(C)(CNC(=O)c2cc(-c3ccc(F)cc3F)no2)c2cccnn2)cn1
InChIInChI=1S/C21H18F2N6O2/c1-21(13-10-26-29(2)11-13,19-4-3-7-25-27-19)12-24-20(30)18-9-17(28-31-18)15-6-5-14(22)8-16(15)23/h3-11H,12H2,1-2H3,(H,24,30)
InChIKeyTXHLVJVSXCLQET-UHFFFAOYSA-N
MW424.41 g/mol
LogP2.88
Rot. Bonds6

About 3-(2,4-difluorophenyl)-N-[2-(1-methylpyrazol-4-yl)-2-pyridazin-3-ylpropyl]-1,2-oxazole-5-carboxamide

3-(2,4-difluorophenyl)-N-[2-(1-methylpyrazol-4-yl)-2-pyridazin-3-ylpropyl]-1,2-oxazole-5-carboxamide (PubChem CID 167451981) has the molecular formula C21H18F2N6O2 and a molecular weight of 424.41 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N-[2-(1-methylpyrazol-4-yl)-2-pyridazin-3-ylpropyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N-[2-(1-methylpyrazol-4-yl)-2-pyridazin-3-ylpropyl]-1,2-oxazole-5-carboxamide
PubChem CID167451981
Molecular FormulaC21H18F2N6O2
Molecular Weight424.41 g/mol
Exact Mass424.15
IUPAC Name3-(2,4-difluorophenyl)-N-[2-(1-methylpyrazol-4-yl)-2-pyridazin-3-ylpropyl]-1,2-oxazole-5-carboxamide
SMILESCn1cc(C(C)(CNC(=O)c2cc(-c3ccc(F)cc3F)no2)c2cccnn2)cn1
InChIInChI=1S/C21H18F2N6O2/c1-21(13-10-26-29(2)11-13,19-4-3-7-25-27-19)12-24-20(30)18-9-17(28-31-18)15-6-5-14(22)8-16(15)23/h3-11H,12H2,1-2H3,(H,24,30)
InChIKeyTXHLVJVSXCLQET-UHFFFAOYSA-N
XLogP2.88
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-N-[2-(1-methylpyrazol-4-yl)-2-pyridazin-3-ylpropyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2,4-difluorophenyl)-N-[2-(1-methylpyrazol-4-yl)-2-pyridazin-3-ylpropyl]-1,2-oxazole-5-carboxamide (CID 167451981) is 3-(2,4-difluorophenyl)-N-[2-(1-methylpyrazol-4-yl)-2-pyridazin-3-ylpropyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N-[2-(1-methylpyrazol-4-yl)-2-pyridazin-3-ylpropyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-N-[2-(1-methylpyrazol-4-yl)-2-pyridazin-3-ylpropyl]-1,2-oxazole-5-carboxamide is Cn1cc(C(C)(CNC(=O)c2cc(-c3ccc(F)cc3F)no2)c2cccnn2)cn1.
What is the InChIKey of 3-(2,4-difluorophenyl)-N-[2-(1-methylpyrazol-4-yl)-2-pyridazin-3-ylpropyl]-1,2-oxazole-5-carboxamide?
The InChIKey is TXHLVJVSXCLQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6O2/c1-21(13-10-26-29(2)11-13,19-4-3-7-25-27-19)12-24-20(30)18-9-17(28-31-18)15-6-5-14(22)8-16(15)23/h3-11H,12H2,1-2H3,(H,24,30).
What are the key properties of 3-(2,4-difluorophenyl)-N-[2-(1-methylpyrazol-4-yl)-2-pyridazin-3-ylpropyl]-1,2-oxazole-5-carboxamide?
3-(2,4-difluorophenyl)-N-[2-(1-methylpyrazol-4-yl)-2-pyridazin-3-ylpropyl]-1,2-oxazole-5-carboxamide has a molecular weight of 424.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-N-[2-(1-methylpyrazol-4-yl)-2-pyridazin-3-ylpropyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 167451981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).