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

C21H20N4O3 — CID 110408580

IUPAC1-benzyl-5-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1nnc(-c2ccccc2)o1)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C21H20N4O3/c26-19-12-11-17(25(19)14-15-7-3-1-4-8-15)20(27)22-13-18-23-24-21(28-18)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,27)
InChIKeyKNUYSBGPMDZTHQ-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.54
Rot. Bonds6

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

1-benzyl-5-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 110408580) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-benzyl-5-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID110408580
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name1-benzyl-5-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1nnc(-c2ccccc2)o1)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C21H20N4O3/c26-19-12-11-17(25(19)14-15-7-3-1-4-8-15)20(27)22-13-18-23-24-21(28-18)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,27)
InChIKeyKNUYSBGPMDZTHQ-UHFFFAOYSA-N
XLogP2.54
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-5-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide (CID 110408580) is 1-benzyl-5-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-5-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-5-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1nnc(-c2ccccc2)o1)C1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is KNUYSBGPMDZTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-19-12-11-17(25(19)14-15-7-3-1-4-8-15)20(27)22-13-18-23-24-21(28-18)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,27).
What are the key properties of 1-benzyl-5-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide?
1-benzyl-5-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110408580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).