1-[2-[(2S)-1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

C21H27FN4O2 — CID 42121848

IUPAC1-[2-[(2S)-1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC[C@@H]1CCCCN1Cc1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C21H27FN4O2/c22-17-6-3-5-16(13-17)14-19-23-20(28-24-19)15-26-10-2-1-7-18(26)9-12-25-11-4-8-21(25)27/h3,5-6,13,18H,1-2,4,7-12,14-15H2/t18-/m0/s1
InChIKeyXMXOSCRUTNWRAN-SFHVURJKSA-N
MW386.47 g/mol
LogP3.17
Rot. Bonds7

About 1-[2-[(2S)-1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

1-[2-[(2S)-1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 42121848) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 1-[2-[(2S)-1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2S)-1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
PubChem CID42121848
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name1-[2-[(2S)-1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC[C@@H]1CCCCN1Cc1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C21H27FN4O2/c22-17-6-3-5-16(13-17)14-19-23-20(28-24-19)15-26-10-2-1-7-18(26)9-12-25-11-4-8-21(25)27/h3,5-6,13,18H,1-2,4,7-12,14-15H2/t18-/m0/s1
InChIKeyXMXOSCRUTNWRAN-SFHVURJKSA-N
XLogP3.17
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2S)-1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (CID 42121848) is 1-[2-[(2S)-1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2S)-1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2S)-1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CC[C@@H]1CCCCN1Cc1nc(Cc2cccc(F)c2)no1.
What is the InChIKey of 1-[2-[(2S)-1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is XMXOSCRUTNWRAN-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27FN4O2/c22-17-6-3-5-16(13-17)14-19-23-20(28-24-19)15-26-10-2-1-7-18(26)9-12-25-11-4-8-21(25)27/h3,5-6,13,18H,1-2,4,7-12,14-15H2/t18-/m0/s1.
What are the key properties of 1-[2-[(2S)-1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[(2S)-1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 386.47 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 42121848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).