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

C19H24N4O5 — CID 118570436

IUPAC[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
SMILESCC(C)(C)c1noc(CCNC(=O)O[C@@]2(O)CCN(c3ccccc3)C2=O)n1
InChIInChI=1S/C19H24N4O5/c1-18(2,3)15-21-14(28-22-15)9-11-20-17(25)27-19(26)10-12-23(16(19)24)13-7-5-4-6-8-13/h4-8,26H,9-12H2,1-3H3,(H,20,25)/t19-/m0/s1
InChIKeyKGWYDJMHQQSPGI-IBGZPJMESA-N
MW388.42 g/mol
LogP1.76
Rot. Bonds5

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

[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate (PubChem CID 118570436) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Name[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
PubChem CID118570436
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
SMILESCC(C)(C)c1noc(CCNC(=O)O[C@@]2(O)CCN(c3ccccc3)C2=O)n1
InChIInChI=1S/C19H24N4O5/c1-18(2,3)15-21-14(28-22-15)9-11-20-17(25)27-19(26)10-12-23(16(19)24)13-7-5-4-6-8-13/h4-8,26H,9-12H2,1-3H3,(H,20,25)/t19-/m0/s1
InChIKeyKGWYDJMHQQSPGI-IBGZPJMESA-N
XLogP1.76
TPSA117.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.76
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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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate?
The IUPAC name of [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate (CID 118570436) is [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate.
What is the SMILES notation for [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate?
The canonical SMILES for [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate is CC(C)(C)c1noc(CCNC(=O)O[C@@]2(O)CCN(c3ccccc3)C2=O)n1.
What is the InChIKey of [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate?
The InChIKey is KGWYDJMHQQSPGI-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O5/c1-18(2,3)15-21-14(28-22-15)9-11-20-17(25)27-19(26)10-12-23(16(19)24)13-7-5-4-6-8-13/h4-8,26H,9-12H2,1-3H3,(H,20,25)/t19-/m0/s1.
What are the key properties of [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate?
[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate has a molecular weight of 388.42 g/mol, XLogP of 1.76, 5 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-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 118570436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).