2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C20H28N4O2 — CID 126864944

IUPAC2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCC(C)c1ocnc1CN1CCC(Cn2nc3c(cc2=O)CCC3)CC1
InChIInChI=1S/C20H28N4O2/c1-14(2)20-18(21-13-26-20)12-23-8-6-15(7-9-23)11-24-19(25)10-16-4-3-5-17(16)22-24/h10,13-15H,3-9,11-12H2,1-2H3
InChIKeyKQGBIMPDOFTMLL-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.76
Rot. Bonds5

About 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126864944) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126864944
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCC(C)c1ocnc1CN1CCC(Cn2nc3c(cc2=O)CCC3)CC1
InChIInChI=1S/C20H28N4O2/c1-14(2)20-18(21-13-26-20)12-23-8-6-15(7-9-23)11-24-19(25)10-16-4-3-5-17(16)22-24/h10,13-15H,3-9,11-12H2,1-2H3
InChIKeyKQGBIMPDOFTMLL-UHFFFAOYSA-N
XLogP2.76
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126864944) is 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is CC(C)c1ocnc1CN1CCC(Cn2nc3c(cc2=O)CCC3)CC1.
What is the InChIKey of 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is KQGBIMPDOFTMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14(2)20-18(21-13-26-20)12-23-8-6-15(7-9-23)11-24-19(25)10-16-4-3-5-17(16)22-24/h10,13-15H,3-9,11-12H2,1-2H3.
What are the key properties of 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 356.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126864944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).