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

C19H28N4O2 — CID 126862481

IUPAC6-tert-butyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ocnc1CN1CCC(Cn2nc(C(C)(C)C)ccc2=O)CC1
InChIInChI=1S/C19H28N4O2/c1-14-16(20-13-25-14)12-22-9-7-15(8-10-22)11-23-18(24)6-5-17(21-23)19(2,3)4/h5-6,13,15H,7-12H2,1-4H3
InChIKeyYADVHXUGZXMHRP-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.75
Rot. Bonds4

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

6-tert-butyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126862481) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126862481
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name6-tert-butyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ocnc1CN1CCC(Cn2nc(C(C)(C)C)ccc2=O)CC1
InChIInChI=1S/C19H28N4O2/c1-14-16(20-13-25-14)12-22-9-7-15(8-10-22)11-23-18(24)6-5-17(21-23)19(2,3)4/h5-6,13,15H,7-12H2,1-4H3
InChIKeyYADVHXUGZXMHRP-UHFFFAOYSA-N
XLogP2.75
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.75
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-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (CID 126862481) is 6-tert-butyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is Cc1ocnc1CN1CCC(Cn2nc(C(C)(C)C)ccc2=O)CC1.
What is the InChIKey of 6-tert-butyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is YADVHXUGZXMHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14-16(20-13-25-14)12-22-9-7-15(8-10-22)11-23-18(24)6-5-17(21-23)19(2,3)4/h5-6,13,15H,7-12H2,1-4H3.
What are the key properties of 6-tert-butyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 344.46 g/mol, XLogP of 2.75, 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-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126862481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).