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

C25H20ClN5O3 — CID 165117366

IUPACN-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1)C1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C25H20ClN5O3/c26-20-7-3-17(4-8-20)23-29-25(34-30-23)18-5-9-21(10-6-18)28-24(33)19-12-22(32)31(15-19)14-16-2-1-11-27-13-16/h1-11,13,19H,12,14-15H2,(H,28,33)
InChIKeyAACZENBYYTUWJZ-UHFFFAOYSA-N
MW473.92 g/mol
LogP4.44
Rot. Bonds6

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

N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 165117366) has the molecular formula C25H20ClN5O3 and a molecular weight of 473.92 g/mol. Its IUPAC name is N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID165117366
Molecular FormulaC25H20ClN5O3
Molecular Weight473.92 g/mol
Exact Mass473.13
IUPAC NameN-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1)C1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C25H20ClN5O3/c26-20-7-3-17(4-8-20)23-29-25(34-30-23)18-5-9-21(10-6-18)28-24(33)19-12-22(32)31(15-19)14-16-2-1-11-27-13-16/h1-11,13,19H,12,14-15H2,(H,28,33)
InChIKeyAACZENBYYTUWJZ-UHFFFAOYSA-N
XLogP4.44
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.92
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 165117366) is N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is O=C(Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1)C1CC(=O)N(Cc2cccnc2)C1.
What is the InChIKey of N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is AACZENBYYTUWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O3/c26-20-7-3-17(4-8-20)23-29-25(34-30-23)18-5-9-21(10-6-18)28-24(33)19-12-22(32)31(15-19)14-16-2-1-11-27-13-16/h1-11,13,19H,12,14-15H2,(H,28,33).
What are the key properties of N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 473.92 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 165117366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).