5-[3-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

C19H24N4O4 — CID 110223562

IUPAC5-[3-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCOc1cc(CN2CCC(c3noc(C4CCC(=O)N4)n3)CC2)ccc1O
InChIInChI=1S/C19H24N4O4/c1-26-16-10-12(2-4-15(16)24)11-23-8-6-13(7-9-23)18-21-19(27-22-18)14-3-5-17(25)20-14/h2,4,10,13-14,24H,3,5-9,11H2,1H3,(H,20,25)
InChIKeyFUKKZLQKBSLJDD-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.11
Rot. Bonds5

About 5-[3-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

5-[3-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 110223562) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-[3-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID110223562
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name5-[3-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCOc1cc(CN2CCC(c3noc(C4CCC(=O)N4)n3)CC2)ccc1O
InChIInChI=1S/C19H24N4O4/c1-26-16-10-12(2-4-15(16)24)11-23-8-6-13(7-9-23)18-21-19(27-22-18)14-3-5-17(25)20-14/h2,4,10,13-14,24H,3,5-9,11H2,1H3,(H,20,25)
InChIKeyFUKKZLQKBSLJDD-UHFFFAOYSA-N
XLogP2.11
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 5-[3-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 110223562) is 5-[3-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-[3-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 5-[3-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is COc1cc(CN2CCC(c3noc(C4CCC(=O)N4)n3)CC2)ccc1O.
What is the InChIKey of 5-[3-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is FUKKZLQKBSLJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-26-16-10-12(2-4-15(16)24)11-23-8-6-13(7-9-23)18-21-19(27-22-18)14-3-5-17(25)20-14/h2,4,10,13-14,24H,3,5-9,11H2,1H3,(H,20,25).
What are the key properties of 5-[3-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
5-[3-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 372.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 110223562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).