N-[(3R,5S)-1-cyano-5-[(dimethylamino)methyl]pyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide

C19H20N6O2 — CID 155212298

IUPACN-[(3R,5S)-1-cyano-5-[(dimethylamino)methyl]pyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide
SMILESCN(C)C[C@@H]1C[C@@H](NC(=O)c2ncc(-c3cccc(C#N)c3)o2)CN1C#N
InChIInChI=1S/C19H20N6O2/c1-24(2)11-16-7-15(10-25(16)12-21)23-18(26)19-22-9-17(27-19)14-5-3-4-13(6-14)8-20/h3-6,9,15-16H,7,10-11H2,1-2H3,(H,23,26)/t15-,16+/m1/s1
InChIKeyONLHCVUUOARPFH-CVEARBPZSA-N
MW364.41 g/mol
LogP1.43
Rot. Bonds5

About N-[(3R,5S)-1-cyano-5-[(dimethylamino)methyl]pyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide

N-[(3R,5S)-1-cyano-5-[(dimethylamino)methyl]pyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide (PubChem CID 155212298) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(3R,5S)-1-cyano-5-[(dimethylamino)methyl]pyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-cyano-5-[(dimethylamino)methyl]pyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide
PubChem CID155212298
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-[(3R,5S)-1-cyano-5-[(dimethylamino)methyl]pyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide
SMILESCN(C)C[C@@H]1C[C@@H](NC(=O)c2ncc(-c3cccc(C#N)c3)o2)CN1C#N
InChIInChI=1S/C19H20N6O2/c1-24(2)11-16-7-15(10-25(16)12-21)23-18(26)19-22-9-17(27-19)14-5-3-4-13(6-14)8-20/h3-6,9,15-16H,7,10-11H2,1-2H3,(H,23,26)/t15-,16+/m1/s1
InChIKeyONLHCVUUOARPFH-CVEARBPZSA-N
XLogP1.43
TPSA109.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze N-[(3R,5S)-1-cyano-5-[(dimethylamino)methyl]pyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-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 N-[(3R,5S)-1-cyano-5-[(dimethylamino)methyl]pyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[(3R,5S)-1-cyano-5-[(dimethylamino)methyl]pyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide (CID 155212298) is N-[(3R,5S)-1-cyano-5-[(dimethylamino)methyl]pyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-cyano-5-[(dimethylamino)methyl]pyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-cyano-5-[(dimethylamino)methyl]pyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide is CN(C)C[C@@H]1C[C@@H](NC(=O)c2ncc(-c3cccc(C#N)c3)o2)CN1C#N.
What is the InChIKey of N-[(3R,5S)-1-cyano-5-[(dimethylamino)methyl]pyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide?
The InChIKey is ONLHCVUUOARPFH-CVEARBPZSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-24(2)11-16-7-15(10-25(16)12-21)23-18(26)19-22-9-17(27-19)14-5-3-4-13(6-14)8-20/h3-6,9,15-16H,7,10-11H2,1-2H3,(H,23,26)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,5S)-1-cyano-5-[(dimethylamino)methyl]pyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide?
N-[(3R,5S)-1-cyano-5-[(dimethylamino)methyl]pyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-cyano-5-[(dimethylamino)methyl]pyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 155212298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).