6-methyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one

C15H20N4O2 — CID 126864087

IUPAC6-methyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(Cc3cocn3)CC2)n1
InChIInChI=1S/C15H20N4O2/c1-12-2-3-15(20)19(17-12)8-13-4-6-18(7-5-13)9-14-10-21-11-16-14/h2-3,10-11,13H,4-9H2,1H3
InChIKeyZHOHPCIZYLNJGP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.45
Rot. Bonds4

About 6-methyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one

6-methyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126864087) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-methyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126864087
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-methyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(Cc3cocn3)CC2)n1
InChIInChI=1S/C15H20N4O2/c1-12-2-3-15(20)19(17-12)8-13-4-6-18(7-5-13)9-14-10-21-11-16-14/h2-3,10-11,13H,4-9H2,1H3
InChIKeyZHOHPCIZYLNJGP-UHFFFAOYSA-N
XLogP1.45
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126864087) is 6-methyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one is Cc1ccc(=O)n(CC2CCN(Cc3cocn3)CC2)n1.
What is the InChIKey of 6-methyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is ZHOHPCIZYLNJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-12-2-3-15(20)19(17-12)8-13-4-6-18(7-5-13)9-14-10-21-11-16-14/h2-3,10-11,13H,4-9H2,1H3.
What are the key properties of 6-methyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one?
6-methyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 288.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126864087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).