2-[[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]amino]-N-hydroxyacetamide

C17H14N6O3 — CID 177372231

IUPAC2-[[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]amino]-N-hydroxyacetamide
SMILESNc1nc2cc(-c3ccc4ncc(NCC(=O)NO)nc4c3)ccc2o1
InChIInChI=1S/C17H14N6O3/c18-17-22-13-6-10(2-4-14(13)26-17)9-1-3-11-12(5-9)21-15(7-19-11)20-8-16(24)23-25/h1-7,25H,8H2,(H2,18,22)(H,20,21)(H,23,24)
InChIKeySVTDUMRSYUQNFD-UHFFFAOYSA-N
MW350.34 g/mol
LogP1.94
Rot. Bonds4

About 2-[[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]amino]-N-hydroxyacetamide

2-[[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]amino]-N-hydroxyacetamide (PubChem CID 177372231) has the molecular formula C17H14N6O3 and a molecular weight of 350.34 g/mol. Its IUPAC name is 2-[[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]amino]-N-hydroxyacetamide
PubChem CID177372231
Molecular FormulaC17H14N6O3
Molecular Weight350.34 g/mol
Exact Mass350.11
IUPAC Name2-[[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]amino]-N-hydroxyacetamide
SMILESNc1nc2cc(-c3ccc4ncc(NCC(=O)NO)nc4c3)ccc2o1
InChIInChI=1S/C17H14N6O3/c18-17-22-13-6-10(2-4-14(13)26-17)9-1-3-11-12(5-9)21-15(7-19-11)20-8-16(24)23-25/h1-7,25H,8H2,(H2,18,22)(H,20,21)(H,23,24)
InChIKeySVTDUMRSYUQNFD-UHFFFAOYSA-N
XLogP1.94
TPSA139.19 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]amino]-N-hydroxyacetamide 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 2-[[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]amino]-N-hydroxyacetamide?
The IUPAC name of 2-[[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]amino]-N-hydroxyacetamide (CID 177372231) is 2-[[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]amino]-N-hydroxyacetamide is Nc1nc2cc(-c3ccc4ncc(NCC(=O)NO)nc4c3)ccc2o1.
What is the InChIKey of 2-[[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]amino]-N-hydroxyacetamide?
The InChIKey is SVTDUMRSYUQNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3/c18-17-22-13-6-10(2-4-14(13)26-17)9-1-3-11-12(5-9)21-15(7-19-11)20-8-16(24)23-25/h1-7,25H,8H2,(H2,18,22)(H,20,21)(H,23,24).
What are the key properties of 2-[[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]amino]-N-hydroxyacetamide?
2-[[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]amino]-N-hydroxyacetamide has a molecular weight of 350.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]amino]-N-hydroxyacetamide is sourced from PubChem (CID 177372231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).