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

C18H26N4O2 — CID 126862483

IUPAC6-tert-butyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(Cc3cocn3)CC2)n1
InChIInChI=1S/C18H26N4O2/c1-18(2,3)16-4-5-17(23)22(20-16)10-14-6-8-21(9-7-14)11-15-12-24-13-19-15/h4-5,12-14H,6-11H2,1-3H3
InChIKeyBVEAUTNBJQFECY-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.44
Rot. Bonds4

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

6-tert-butyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126862483) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126862483
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name6-tert-butyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(Cc3cocn3)CC2)n1
InChIInChI=1S/C18H26N4O2/c1-18(2,3)16-4-5-17(23)22(20-16)10-14-6-8-21(9-7-14)11-15-12-24-13-19-15/h4-5,12-14H,6-11H2,1-3H3
InChIKeyBVEAUTNBJQFECY-UHFFFAOYSA-N
XLogP2.44
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126862483) is 6-tert-butyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CCN(Cc3cocn3)CC2)n1.
What is the InChIKey of 6-tert-butyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is BVEAUTNBJQFECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-18(2,3)16-4-5-17(23)22(20-16)10-14-6-8-21(9-7-14)11-15-12-24-13-19-15/h4-5,12-14H,6-11H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 330.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126862483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).