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

C19H17IN4O2 — CID 162674018

IUPAC(2S)-N-(4-iodophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(I)cc1)N1CCC[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H17IN4O2/c20-14-8-10-15(11-9-14)21-19(25)24-12-4-7-16(24)18-22-17(23-26-18)13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2,(H,21,25)/t16-/m0/s1
InChIKeyAJDSIPDSNCJZEX-INIZCTEOSA-N
MW460.28 g/mol
LogP4.71
Rot. Bonds3

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

(2S)-N-(4-iodophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 162674018) has the molecular formula C19H17IN4O2 and a molecular weight of 460.28 g/mol. Its IUPAC name is (2S)-N-(4-iodophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-iodophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID162674018
Molecular FormulaC19H17IN4O2
Molecular Weight460.28 g/mol
Exact Mass460.04
IUPAC Name(2S)-N-(4-iodophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(I)cc1)N1CCC[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H17IN4O2/c20-14-8-10-15(11-9-14)21-19(25)24-12-4-7-16(24)18-22-17(23-26-18)13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2,(H,21,25)/t16-/m0/s1
InChIKeyAJDSIPDSNCJZEX-INIZCTEOSA-N
XLogP4.71
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.28
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-iodophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(4-iodophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (CID 162674018) is (2S)-N-(4-iodophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(4-iodophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(4-iodophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is O=C(Nc1ccc(I)cc1)N1CCC[C@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of (2S)-N-(4-iodophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is AJDSIPDSNCJZEX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17IN4O2/c20-14-8-10-15(11-9-14)21-19(25)24-12-4-7-16(24)18-22-17(23-26-18)13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2,(H,21,25)/t16-/m0/s1.
What are the key properties of (2S)-N-(4-iodophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
(2S)-N-(4-iodophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 460.28 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-iodophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 162674018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).