[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate

C20H24N4O5 — CID 118570626

IUPAC[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate
SMILESO=C(NCCc1noc(C2CCCC2)n1)O[C@@]1(O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C20H24N4O5/c25-18-20(27,11-13-24(18)15-8-2-1-3-9-15)28-19(26)21-12-10-16-22-17(29-23-16)14-6-4-5-7-14/h1-3,8-9,14,27H,4-7,10-13H2,(H,21,26)/t20-/m0/s1
InChIKeyGCQDQTKWSFVTPV-FQEVSTJZSA-N
MW400.44 g/mol
LogP2.12
Rot. Bonds6

About [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate

[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate (PubChem CID 118570626) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate
PubChem CID118570626
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Name[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate
SMILESO=C(NCCc1noc(C2CCCC2)n1)O[C@@]1(O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C20H24N4O5/c25-18-20(27,11-13-24(18)15-8-2-1-3-9-15)28-19(26)21-12-10-16-22-17(29-23-16)14-6-4-5-7-14/h1-3,8-9,14,27H,4-7,10-13H2,(H,21,26)/t20-/m0/s1
InChIKeyGCQDQTKWSFVTPV-FQEVSTJZSA-N
XLogP2.12
TPSA117.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(5-Cyclopentyl-1,2,4-oxadiazol-3-yl)-1-phenyl-2-pyrrolidinone
CID 53183298
(3S)-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56959517
(3S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56959821
(3S)-N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56959968
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 76449154
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 76449255
N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 76449305
[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 118570436
[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate
CID 118570508
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 144362393
(4R)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-1-phenylpyrrolidin-2-one
CID 95105695
(4S)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-1-phenylpyrrolidin-2-one
CID 95105696

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate?
The IUPAC name of [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate (CID 118570626) is [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate.
What is the SMILES notation for [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate?
The canonical SMILES for [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate is O=C(NCCc1noc(C2CCCC2)n1)O[C@@]1(O)CCN(c2ccccc2)C1=O.
What is the InChIKey of [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate?
The InChIKey is GCQDQTKWSFVTPV-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N4O5/c25-18-20(27,11-13-24(18)15-8-2-1-3-9-15)28-19(26)21-12-10-16-22-17(29-23-16)14-6-4-5-7-14/h1-3,8-9,14,27H,4-7,10-13H2,(H,21,26)/t20-/m0/s1.
What are the key properties of [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate?
[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate has a molecular weight of 400.44 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate is sourced from PubChem (CID 118570626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).