[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone

C20H20N4O2 — CID 124948499

IUPAC[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1
InChIInChI=1S/C20H20N4O2/c25-20(16-8-9-22-23-12-16)24-10-4-7-17(14-24)19-21-13-18(26-19)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12-13,17H,4,7,10-11,14H2/t17-/m1/s1
InChIKeyCNKFEPNLTUGQKV-QGZVFWFLSA-N
MW348.41 g/mol
LogP3.08
Rot. Bonds4

About [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone

[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 124948499) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
PubChem CID124948499
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1
InChIInChI=1S/C20H20N4O2/c25-20(16-8-9-22-23-12-16)24-10-4-7-17(14-24)19-21-13-18(26-19)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12-13,17H,4,7,10-11,14H2/t17-/m1/s1
InChIKeyCNKFEPNLTUGQKV-QGZVFWFLSA-N
XLogP3.08
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124948498
[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 125015020
[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 110119777
[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124942086
(2-benzyl-4-pyridinyl)-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 132779855
(6-benzyl-3-pyridinyl)-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 125000734
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124957437
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124952533
[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110119365
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]methanone
CID 129455103
6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 110133724
[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 110119492

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone (CID 124948499) is [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1.
What is the InChIKey of [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is CNKFEPNLTUGQKV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(16-8-9-22-23-12-16)24-10-4-7-17(14-24)19-21-13-18(26-19)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12-13,17H,4,7,10-11,14H2/t17-/m1/s1.
What are the key properties of [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone?
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 348.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 124948499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).