N-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

C17H22N4O3 — CID 51084358

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCOc1ncccc1CNC(=O)N1CCCC1c1cc(C)no1
InChIInChI=1S/C17H22N4O3/c1-3-23-16-13(6-4-8-18-16)11-19-17(22)21-9-5-7-14(21)15-10-12(2)20-24-15/h4,6,8,10,14H,3,5,7,9,11H2,1-2H3,(H,19,22)
InChIKeyGWOPRRNUOCJTFX-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.82
Rot. Bonds5

About N-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

N-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 51084358) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID51084358
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCOc1ncccc1CNC(=O)N1CCCC1c1cc(C)no1
InChIInChI=1S/C17H22N4O3/c1-3-23-16-13(6-4-8-18-16)11-19-17(22)21-9-5-7-14(21)15-10-12(2)20-24-15/h4,6,8,10,14H,3,5,7,9,11H2,1-2H3,(H,19,22)
InChIKeyGWOPRRNUOCJTFX-UHFFFAOYSA-N
XLogP2.82
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-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-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 51084358) is N-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is CCOc1ncccc1CNC(=O)N1CCCC1c1cc(C)no1.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is GWOPRRNUOCJTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-23-16-13(6-4-8-18-16)11-19-17(22)21-9-5-7-14(21)15-10-12(2)20-24-15/h4,6,8,10,14H,3,5,7,9,11H2,1-2H3,(H,19,22).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51084358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).