(2S,3S)-3-hydroxy-N-[[4-(5-pentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide

C19H26N4O3 — CID 45256919

IUPAC(2S,3S)-3-hydroxy-N-[[4-(5-pentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCCCCCc1nc(-c2ccc(CNC(=O)[C@H]3NCC[C@@H]3O)cc2)no1
InChIInChI=1S/C19H26N4O3/c1-2-3-4-5-16-22-18(23-26-16)14-8-6-13(7-9-14)12-21-19(25)17-15(24)10-11-20-17/h6-9,15,17,20,24H,2-5,10-12H2,1H3,(H,21,25)/t15-,17-/m0/s1
InChIKeyAPBXTTPJGSJQBJ-RDJZCZTQSA-N
MW358.44 g/mol
LogP1.81
Rot. Bonds8

About (2S,3S)-3-hydroxy-N-[[4-(5-pentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide

(2S,3S)-3-hydroxy-N-[[4-(5-pentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 45256919) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-N-[[4-(5-pentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-N-[[4-(5-pentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID45256919
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(2S,3S)-3-hydroxy-N-[[4-(5-pentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCCCCCc1nc(-c2ccc(CNC(=O)[C@H]3NCC[C@@H]3O)cc2)no1
InChIInChI=1S/C19H26N4O3/c1-2-3-4-5-16-22-18(23-26-16)14-8-6-13(7-9-14)12-21-19(25)17-15(24)10-11-20-17/h6-9,15,17,20,24H,2-5,10-12H2,1H3,(H,21,25)/t15-,17-/m0/s1
InChIKeyAPBXTTPJGSJQBJ-RDJZCZTQSA-N
XLogP1.81
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,3S)-3-hydroxy-N-[[4-(5-pentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-N-[[4-(5-pentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,3S)-3-hydroxy-N-[[4-(5-pentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 45256919) is (2S,3S)-3-hydroxy-N-[[4-(5-pentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,3S)-3-hydroxy-N-[[4-(5-pentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,3S)-3-hydroxy-N-[[4-(5-pentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide is CCCCCc1nc(-c2ccc(CNC(=O)[C@H]3NCC[C@@H]3O)cc2)no1.
What is the InChIKey of (2S,3S)-3-hydroxy-N-[[4-(5-pentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is APBXTTPJGSJQBJ-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-2-3-4-5-16-22-18(23-26-16)14-8-6-13(7-9-14)12-21-19(25)17-15(24)10-11-20-17/h6-9,15,17,20,24H,2-5,10-12H2,1H3,(H,21,25)/t15-,17-/m0/s1.
What are the key properties of (2S,3S)-3-hydroxy-N-[[4-(5-pentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
(2S,3S)-3-hydroxy-N-[[4-(5-pentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.81, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-N-[[4-(5-pentyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45256919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).