5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide

C13H12N4O3S — CID 106413888

IUPAC5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2ccno2)c2ncccc12
InChIInChI=1S/C13H12N4O3S/c14-11-3-4-12(13-10(11)2-1-6-15-13)21(18,19)17-8-9-5-7-16-20-9/h1-7,17H,8,14H2
InChIKeyDJNIURANXGKXKG-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.28
Rot. Bonds4

About 5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide

5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide (PubChem CID 106413888) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide
PubChem CID106413888
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2ccno2)c2ncccc12
InChIInChI=1S/C13H12N4O3S/c14-11-3-4-12(13-10(11)2-1-6-15-13)21(18,19)17-8-9-5-7-16-20-9/h1-7,17H,8,14H2
InChIKeyDJNIURANXGKXKG-UHFFFAOYSA-N
XLogP1.28
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide
CID 104850425
2-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106419554
5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide
CID 104850286
5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide
CID 104850349
4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide
CID 104850380
5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413925
2-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106422783
N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide
CID 104850364
methyl 3-[(5-aminoquinolin-8-yl)sulfonylamino]propanoate
CID 104850376
3-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridine-2-sulfonamide
CID 106419565
N-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 106422776
5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413894

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide?
The IUPAC name of 5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide (CID 106413888) is 5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide.
What is the SMILES notation for 5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide?
The canonical SMILES for 5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide is Nc1ccc(S(=O)(=O)NCc2ccno2)c2ncccc12.
What is the InChIKey of 5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide?
The InChIKey is DJNIURANXGKXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c14-11-3-4-12(13-10(11)2-1-6-15-13)21(18,19)17-8-9-5-7-16-20-9/h1-7,17H,8,14H2.
What are the key properties of 5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide?
5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide has a molecular weight of 304.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide is sourced from PubChem (CID 106413888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).