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

C16H20N4O2 — CID 53039367

IUPAC2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H20N4O2/c1-2-10-17-16(21)20-11-6-9-13(20)15-18-14(19-22-15)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,17,21)
InChIKeyUJYWARYXSFCZKA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.99
Rot. Bonds4

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

2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpyrrolidine-1-carboxamide (PubChem CID 53039367) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpyrrolidine-1-carboxamide
PubChem CID53039367
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H20N4O2/c1-2-10-17-16(21)20-11-6-9-13(20)15-18-14(19-22-15)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,17,21)
InChIKeyUJYWARYXSFCZKA-UHFFFAOYSA-N
XLogP2.99
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpyrrolidine-1-carboxamide (CID 53039367) is 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpyrrolidine-1-carboxamide is CCCNC(=O)N1CCCC1c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpyrrolidine-1-carboxamide?
The InChIKey is UJYWARYXSFCZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-10-17-16(21)20-11-6-9-13(20)15-18-14(19-22-15)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,17,21).
What are the key properties of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpyrrolidine-1-carboxamide?
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpyrrolidine-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpyrrolidine-1-carboxamide is sourced from PubChem (CID 53039367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).