N-[(4-bromo-2-hydroxy-1H-indol-3-yl)imino]oxolane-2-carboxamide

C13H12BrN3O3 — CID 136577169

IUPACN-[(4-bromo-2-hydroxy-1H-indol-3-yl)imino]oxolane-2-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2cccc(Br)c12)C1CCCO1
InChIInChI=1S/C13H12BrN3O3/c14-7-3-1-4-8-10(7)11(13(19)15-8)16-17-12(18)9-5-2-6-20-9/h1,3-4,9,15,19H,2,5-6H2/b17-16+
InChIKeyXIZFOXOLTMVLMM-WUKNDPDISA-N
MW338.16 g/mol
LogP3.43
Rot. Bonds2

About N-[(4-bromo-2-hydroxy-1H-indol-3-yl)imino]oxolane-2-carboxamide

N-[(4-bromo-2-hydroxy-1H-indol-3-yl)imino]oxolane-2-carboxamide (PubChem CID 136577169) has the molecular formula C13H12BrN3O3 and a molecular weight of 338.16 g/mol. Its IUPAC name is N-[(4-bromo-2-hydroxy-1H-indol-3-yl)imino]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-2-hydroxy-1H-indol-3-yl)imino]oxolane-2-carboxamide
PubChem CID136577169
Molecular FormulaC13H12BrN3O3
Molecular Weight338.16 g/mol
Exact Mass337.01
IUPAC NameN-[(4-bromo-2-hydroxy-1H-indol-3-yl)imino]oxolane-2-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2cccc(Br)c12)C1CCCO1
InChIInChI=1S/C13H12BrN3O3/c14-7-3-1-4-8-10(7)11(13(19)15-8)16-17-12(18)9-5-2-6-20-9/h1,3-4,9,15,19H,2,5-6H2/b17-16+
InChIKeyXIZFOXOLTMVLMM-WUKNDPDISA-N
XLogP3.43
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[(4-bromo-2-hydroxy-1H-indol-3-yl)imino]oxolane-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-[(4-bromo-2-hydroxy-1H-indol-3-yl)imino]oxolane-2-carboxamide?
The IUPAC name of N-[(4-bromo-2-hydroxy-1H-indol-3-yl)imino]oxolane-2-carboxamide (CID 136577169) is N-[(4-bromo-2-hydroxy-1H-indol-3-yl)imino]oxolane-2-carboxamide.
What is the SMILES notation for N-[(4-bromo-2-hydroxy-1H-indol-3-yl)imino]oxolane-2-carboxamide?
The canonical SMILES for N-[(4-bromo-2-hydroxy-1H-indol-3-yl)imino]oxolane-2-carboxamide is O=C(/N=N/c1c(O)[nH]c2cccc(Br)c12)C1CCCO1.
What is the InChIKey of N-[(4-bromo-2-hydroxy-1H-indol-3-yl)imino]oxolane-2-carboxamide?
The InChIKey is XIZFOXOLTMVLMM-WUKNDPDISA-N. The full InChI is InChI=1S/C13H12BrN3O3/c14-7-3-1-4-8-10(7)11(13(19)15-8)16-17-12(18)9-5-2-6-20-9/h1,3-4,9,15,19H,2,5-6H2/b17-16+.
What are the key properties of N-[(4-bromo-2-hydroxy-1H-indol-3-yl)imino]oxolane-2-carboxamide?
N-[(4-bromo-2-hydroxy-1H-indol-3-yl)imino]oxolane-2-carboxamide has a molecular weight of 338.16 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-hydroxy-1H-indol-3-yl)imino]oxolane-2-carboxamide is sourced from PubChem (CID 136577169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).