N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

C16H20N4O3 — CID 87053057

IUPACN-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C16H20N4O3/c1-22-10-8-17-16(21)20-9-7-13(11-20)15-18-14(19-23-15)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,21)
InChIKeyJEBWCCAXCJRJEL-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.88
Rot. Bonds5

About N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 87053057) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID87053057
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C16H20N4O3/c1-22-10-8-17-16(21)20-9-7-13(11-20)15-18-14(19-23-15)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,21)
InChIKeyJEBWCCAXCJRJEL-UHFFFAOYSA-N
XLogP1.88
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (CID 87053057) is N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is COCCNC(=O)N1CCC(c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is JEBWCCAXCJRJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-22-10-8-17-16(21)20-9-7-13(11-20)15-18-14(19-23-15)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,21).
What are the key properties of N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 87053057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).