5-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C18H17N5O3S — CID 155505771

IUPAC5-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1noc(-c2ccccc2)n1)C1CC(=O)N(c2nccs2)C1
InChIInChI=1S/C18H17N5O3S/c24-15-10-13(11-23(15)18-20-8-9-27-18)16(25)19-7-6-14-21-17(26-22-14)12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,19,25)
InChIKeyWYXUDSCIXIUAGD-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.90
Rot. Bonds6

About 5-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

5-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 155505771) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is 5-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID155505771
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name5-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1noc(-c2ccccc2)n1)C1CC(=O)N(c2nccs2)C1
InChIInChI=1S/C18H17N5O3S/c24-15-10-13(11-23(15)18-20-8-9-27-18)16(25)19-7-6-14-21-17(26-22-14)12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,19,25)
InChIKeyWYXUDSCIXIUAGD-UHFFFAOYSA-N
XLogP1.90
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155917301
(3R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92736436
(3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93064680
5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 110624904
(3S)-5-oxo-1-phenyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 94081056
(3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 95147317
(3S)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97270697
1-(2-bromophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43058988
N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 166192355
(3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95140306
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155497144
(3S)-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 97119837

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 155505771) is 5-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is O=C(NCCc1noc(-c2ccccc2)n1)C1CC(=O)N(c2nccs2)C1.
What is the InChIKey of 5-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is WYXUDSCIXIUAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c24-15-10-13(11-23(15)18-20-8-9-27-18)16(25)19-7-6-14-21-17(26-22-14)12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,19,25).
What are the key properties of 5-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
5-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155505771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).