6-methyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one

C16H22N4O2 — CID 126864085

IUPAC6-methyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(Cc3ncoc3C)CC2)n1
InChIInChI=1S/C16H22N4O2/c1-12-3-4-16(21)20(18-12)9-14-5-7-19(8-6-14)10-15-13(2)22-11-17-15/h3-4,11,14H,5-10H2,1-2H3
InChIKeyHZHBKNLNWBWIRX-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.76
Rot. Bonds4

About 6-methyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one

6-methyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126864085) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-methyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126864085
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name6-methyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(Cc3ncoc3C)CC2)n1
InChIInChI=1S/C16H22N4O2/c1-12-3-4-16(21)20(18-12)9-14-5-7-19(8-6-14)10-15-13(2)22-11-17-15/h3-4,11,14H,5-10H2,1-2H3
InChIKeyHZHBKNLNWBWIRX-UHFFFAOYSA-N
XLogP1.76
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.76
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-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (CID 126864085) is 6-methyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is Cc1ccc(=O)n(CC2CCN(Cc3ncoc3C)CC2)n1.
What is the InChIKey of 6-methyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is HZHBKNLNWBWIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-3-4-16(21)20(18-12)9-14-5-7-19(8-6-14)10-15-13(2)22-11-17-15/h3-4,11,14H,5-10H2,1-2H3.
What are the key properties of 6-methyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
6-methyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 302.38 g/mol, XLogP of 1.76, 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-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126864085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).