(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate

C20H17N3O4 — CID 2994939

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C20H17N3O4/c24-18-11-15(12-23(18)16-9-5-2-6-10-16)20(25)26-13-17-21-22-19(27-17)14-7-3-1-4-8-14/h1-10,15H,11-13H2
InChIKeyIJQHCBKYYGRUIH-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.83
Rot. Bonds5

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate (PubChem CID 2994939) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
PubChem CID2994939
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C20H17N3O4/c24-18-11-15(12-23(18)16-9-5-2-6-10-16)20(25)26-13-17-21-22-19(27-17)14-7-3-1-4-8-14/h1-10,15H,11-13H2
InChIKeyIJQHCBKYYGRUIH-UHFFFAOYSA-N
XLogP2.83
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 4845395
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 16275847
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 25163806
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2106152
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-hydroxy-4-quinolinecarboxylate
CID 2647327
[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-YL]methyl 2-hydroxy-4-quinolinecarboxylate
CID 2996750
[2-(4-Fluoroanilino)-2-oxoethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
CID 8003554
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 42957571
4-(4-(5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl)-1-(p-tolyl)pyrrolidin-2-one
CID 45540939
(5-Phenyl-1,3,4-oxadiazol-2-YL)methyl 2-(acetylamino)benzoate
CID 2995649
1-Phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
CID 6625012
4-[(3S)-3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-4-oxobutanoic acid
CID 51137782

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate (CID 2994939) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate is O=C(OCc1nnc(-c2ccccc2)o1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The InChIKey is IJQHCBKYYGRUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-18-11-15(12-23(18)16-9-5-2-6-10-16)20(25)26-13-17-21-22-19(27-17)14-7-3-1-4-8-14/h1-10,15H,11-13H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate has a molecular weight of 363.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 2994939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).