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

C20H24N4O4 — CID 56959821

IUPAC(3S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCCc1noc(C2CCCC2)n1)[C@@]1(O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C20H24N4O4/c25-18(20(27)11-13-24(19(20)26)15-8-2-1-3-9-15)21-12-10-16-22-17(28-23-16)14-6-4-5-7-14/h1-3,8-9,14,27H,4-7,10-13H2,(H,21,25)/t20-/m0/s1
InChIKeyRGBDGQOPZARQAL-FQEVSTJZSA-N
MW384.44 g/mol
LogP1.55
Rot. Bonds6

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

(3S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 56959821) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is (3S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID56959821
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name(3S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCCc1noc(C2CCCC2)n1)[C@@]1(O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C20H24N4O4/c25-18(20(27)11-13-24(19(20)26)15-8-2-1-3-9-15)21-12-10-16-22-17(28-23-16)14-6-4-5-7-14/h1-3,8-9,14,27H,4-7,10-13H2,(H,21,25)/t20-/m0/s1
InChIKeyRGBDGQOPZARQAL-FQEVSTJZSA-N
XLogP1.55
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide (CID 56959821) is (3S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(NCCc1noc(C2CCCC2)n1)[C@@]1(O)CCN(c2ccccc2)C1=O.
What is the InChIKey of (3S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is RGBDGQOPZARQAL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N4O4/c25-18(20(27)11-13-24(19(20)26)15-8-2-1-3-9-15)21-12-10-16-22-17(28-23-16)14-6-4-5-7-14/h1-3,8-9,14,27H,4-7,10-13H2,(H,21,25)/t20-/m0/s1.
What are the key properties of (3S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 56959821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).