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

C18H26N4O2 — CID 126864084

IUPAC6-methyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(Cc3ncoc3C(C)C)CC2)n1
InChIInChI=1S/C18H26N4O2/c1-13(2)18-16(19-12-24-18)11-21-8-6-15(7-9-21)10-22-17(23)5-4-14(3)20-22/h4-5,12-13,15H,6-11H2,1-3H3
InChIKeyNDHWAEIXTDHVGG-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.58
Rot. Bonds5

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

6-methyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126864084) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 6-methyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126864084
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name6-methyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(Cc3ncoc3C(C)C)CC2)n1
InChIInChI=1S/C18H26N4O2/c1-13(2)18-16(19-12-24-18)11-21-8-6-15(7-9-21)10-22-17(23)5-4-14(3)20-22/h4-5,12-13,15H,6-11H2,1-3H3
InChIKeyNDHWAEIXTDHVGG-UHFFFAOYSA-N
XLogP2.58
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

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CID 171999615
CID 171999615
CID 172000018
CID 172000018
CID 172881310
CID 172881310
CID 172882600
CID 172882600
CID 159283548
CID 159283548
CID 166789384
CID 166789384
CID 126862480
CID 126862480
CID 126862481
CID 126862481

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (CID 126864084) is 6-methyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is Cc1ccc(=O)n(CC2CCN(Cc3ncoc3C(C)C)CC2)n1.
What is the InChIKey of 6-methyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is NDHWAEIXTDHVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13(2)18-16(19-12-24-18)11-21-8-6-15(7-9-21)10-22-17(23)5-4-14(3)20-22/h4-5,12-13,15H,6-11H2,1-3H3.
What are the key properties of 6-methyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
6-methyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 330.43 g/mol, XLogP of 2.58, 5 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-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126864084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).