2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)acetamide

C19H23N5O4 — CID 164914329

IUPAC2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)acetamide
SMILESCC(C)COc1cc(=O)n(CC(=O)Nc2nc3ncccc3o2)nc1C(C)C
InChIInChI=1S/C19H23N5O4/c1-11(2)10-27-14-8-16(26)24(23-17(14)12(3)4)9-15(25)21-19-22-18-13(28-19)6-5-7-20-18/h5-8,11-12H,9-10H2,1-4H3,(H,20,21,22,25)
InChIKeyJVLAWDSVIBOOGK-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.58
Rot. Bonds7

About 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)acetamide

2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)acetamide (PubChem CID 164914329) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)acetamide
PubChem CID164914329
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)acetamide
SMILESCC(C)COc1cc(=O)n(CC(=O)Nc2nc3ncccc3o2)nc1C(C)C
InChIInChI=1S/C19H23N5O4/c1-11(2)10-27-14-8-16(26)24(23-17(14)12(3)4)9-15(25)21-19-22-18-13(28-19)6-5-7-20-18/h5-8,11-12H,9-10H2,1-4H3,(H,20,21,22,25)
InChIKeyJVLAWDSVIBOOGK-UHFFFAOYSA-N
XLogP2.58
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)acetamide?
The IUPAC name of 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)acetamide (CID 164914329) is 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)acetamide?
The canonical SMILES for 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)acetamide is CC(C)COc1cc(=O)n(CC(=O)Nc2nc3ncccc3o2)nc1C(C)C.
What is the InChIKey of 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)acetamide?
The InChIKey is JVLAWDSVIBOOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-11(2)10-27-14-8-16(26)24(23-17(14)12(3)4)9-15(25)21-19-22-18-13(28-19)6-5-7-20-18/h5-8,11-12H,9-10H2,1-4H3,(H,20,21,22,25).
What are the key properties of 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)acetamide?
2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)acetamide has a molecular weight of 385.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)acetamide is sourced from PubChem (CID 164914329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).