1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide

C15H20N4O2 — CID 106317864

IUPAC1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(Cc2nc3c(N)cccc3o2)C1
InChIInChI=1S/C15H20N4O2/c1-15(14(20)17-2)6-7-19(9-15)8-12-18-13-10(16)4-3-5-11(13)21-12/h3-5H,6-9,16H2,1-2H3,(H,17,20)
InChIKeyXHMYNYSZSFJDLP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.37
Rot. Bonds3

About 1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317864) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317864
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(Cc2nc3c(N)cccc3o2)C1
InChIInChI=1S/C15H20N4O2/c1-15(14(20)17-2)6-7-19(9-15)8-12-18-13-10(16)4-3-5-11(13)21-12/h3-5H,6-9,16H2,1-2H3,(H,17,20)
InChIKeyXHMYNYSZSFJDLP-UHFFFAOYSA-N
XLogP1.37
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317864) is 1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(Cc2nc3c(N)cccc3o2)C1.
What is the InChIKey of 1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is XHMYNYSZSFJDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(14(20)17-2)6-7-19(9-15)8-12-18-13-10(16)4-3-5-11(13)21-12/h3-5H,6-9,16H2,1-2H3,(H,17,20).
What are the key properties of 1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).