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

C25H21N5O3 — CID 165117364

IUPAC5-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)C1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C25H21N5O3/c31-22-13-20(16-30(22)15-17-5-4-12-26-14-17)24(32)27-21-10-8-19(9-11-21)25-28-23(29-33-25)18-6-2-1-3-7-18/h1-12,14,20H,13,15-16H2,(H,27,32)
InChIKeyXYDOHORHIIYXJG-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.79
Rot. Bonds6

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

5-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 165117364) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 5-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID165117364
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name5-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)C1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C25H21N5O3/c31-22-13-20(16-30(22)15-17-5-4-12-26-14-17)24(32)27-21-10-8-19(9-11-21)25-28-23(29-33-25)18-6-2-1-3-7-18/h1-12,14,20H,13,15-16H2,(H,27,32)
InChIKeyXYDOHORHIIYXJG-UHFFFAOYSA-N
XLogP3.79
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 165117364) is 5-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is O=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)C1CC(=O)N(Cc2cccnc2)C1.
What is the InChIKey of 5-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is XYDOHORHIIYXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c31-22-13-20(16-30(22)15-17-5-4-12-26-14-17)24(32)27-21-10-8-19(9-11-21)25-28-23(29-33-25)18-6-2-1-3-7-18/h1-12,14,20H,13,15-16H2,(H,27,32).
What are the key properties of 5-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
5-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 165117364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).