[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone

C20H19ClN4O2 — CID 125015020

IUPAC[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1
InChIInChI=1S/C20H19ClN4O2/c21-17-5-1-3-14(9-17)10-18-12-22-19(27-18)16-4-2-8-25(13-16)20(26)15-6-7-23-24-11-15/h1,3,5-7,9,11-12,16H,2,4,8,10,13H2/t16-/m0/s1
InChIKeyWQMZSKYUNWIYHA-INIZCTEOSA-N
MW382.85 g/mol
LogP3.73
Rot. Bonds4

About [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone

[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 125015020) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone
PubChem CID125015020
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1
InChIInChI=1S/C20H19ClN4O2/c21-17-5-1-3-14(9-17)10-18-12-22-19(27-18)16-4-2-8-25(13-16)20(26)15-6-7-23-24-11-15/h1,3,5-7,9,11-12,16H,2,4,8,10,13H2/t16-/m0/s1
InChIKeyWQMZSKYUNWIYHA-INIZCTEOSA-N
XLogP3.73
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone with MolForge

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Related Compounds

[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124948498
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124948499
[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124994629
[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 125010271
[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 125002971
1-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone
CID 110099349
1-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone
CID 125005494
(2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 124983324
1-[2-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124956032
[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124942086
1-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 110120000
[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 125024608

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone (CID 125015020) is [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1.
What is the InChIKey of [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is WQMZSKYUNWIYHA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-17-5-1-3-14(9-17)10-18-12-22-19(27-18)16-4-2-8-25(13-16)20(26)15-6-7-23-24-11-15/h1,3,5-7,9,11-12,16H,2,4,8,10,13H2/t16-/m0/s1.
What are the key properties of [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone?
[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 382.85 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 125015020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).