1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one

C25H26N4O4 — CID 68686383

IUPAC1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIInChI=1S/C25H26N4O4/c30-22-13-7-15-28(22)19-9-6-8-18(16-19)24-26-25(33-27-24)21-12-4-5-14-29(21)23(31)17-32-20-10-2-1-3-11-20/h1-3,6,8-11,16,21H,4-5,7,12-15,17H2/t21-/m1/s1
InChIKeyXDCXRUYDNMXOLS-OAQYLSRUSA-N
MW446.51 g/mol
LogP4.00
Rot. Bonds6

About 1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one

1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one (PubChem CID 68686383) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one
PubChem CID68686383
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIInChI=1S/C25H26N4O4/c30-22-13-7-15-28(22)19-9-6-8-18(16-19)24-26-25(33-27-24)21-12-4-5-14-29(21)23(31)17-32-20-10-2-1-3-11-20/h1-3,6,8-11,16,21H,4-5,7,12-15,17H2/t21-/m1/s1
InChIKeyXDCXRUYDNMXOLS-OAQYLSRUSA-N
XLogP4.00
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one (CID 68686383) is 1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1cccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1.
What is the InChIKey of 1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one?
The InChIKey is XDCXRUYDNMXOLS-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H26N4O4/c30-22-13-7-15-28(22)19-9-6-8-18(16-19)24-26-25(33-27-24)21-12-4-5-14-29(21)23(31)17-32-20-10-2-1-3-11-20/h1-3,6,8-11,16,21H,4-5,7,12-15,17H2/t21-/m1/s1.
What are the key properties of 1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one?
1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one has a molecular weight of 446.51 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 68686383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).