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

C21H20N4O3 — CID 92736380

IUPAC(3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCc1noc(-c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n1
InChIInChI=1S/C21H20N4O3/c1-2-18-23-21(28-24-18)16-10-6-7-11-17(16)22-20(27)14-12-19(26)25(13-14)15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3,(H,22,27)/t14-/m1/s1
InChIKeyWDBMVHUWIBLIHU-CQSZACIVSA-N
MW376.42 g/mol
LogP3.29
Rot. Bonds5

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

(3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 92736380) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is (3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID92736380
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name(3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCc1noc(-c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n1
InChIInChI=1S/C21H20N4O3/c1-2-18-23-21(28-24-18)16-10-6-7-11-17(16)22-20(27)14-12-19(26)25(13-14)15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3,(H,22,27)/t14-/m1/s1
InChIKeyWDBMVHUWIBLIHU-CQSZACIVSA-N
XLogP3.29
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92736384
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46266860
(3R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92736436
(3R)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92703513
(3R)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92703521
(3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95140306
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46266865
(3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93064680
N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080589
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 53042262
(3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9004445
ethyl 2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 1251465

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 92736380) is (3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CCc1noc(-c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n1.
What is the InChIKey of (3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is WDBMVHUWIBLIHU-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-2-18-23-21(28-24-18)16-10-6-7-11-17(16)22-20(27)14-12-19(26)25(13-14)15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3,(H,22,27)/t14-/m1/s1.
What are the key properties of (3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 92736380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).