5-[[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propylamino]methyl]-1H-imidazole-2-sulfonyl chloride

C17H18ClN5O4S — CID 130368730

IUPAC5-[[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propylamino]methyl]-1H-imidazole-2-sulfonyl chloride
SMILESO=C(NCCCNCc1cnc(S(=O)(=O)Cl)[nH]1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H18ClN5O4S/c18-28(25,26)17-21-11-13(22-17)10-19-7-4-8-20-16(24)14-9-15(27-23-14)12-5-2-1-3-6-12/h1-3,5-6,9,11,19H,4,7-8,10H2,(H,20,24)(H,21,22)
InChIKeyULIDASBNUTZQGI-UHFFFAOYSA-N
MW423.88 g/mol
LogP1.90
Rot. Bonds9

About 5-[[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propylamino]methyl]-1H-imidazole-2-sulfonyl chloride

5-[[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propylamino]methyl]-1H-imidazole-2-sulfonyl chloride (PubChem CID 130368730) has the molecular formula C17H18ClN5O4S and a molecular weight of 423.88 g/mol. Its IUPAC name is 5-[[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propylamino]methyl]-1H-imidazole-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propylamino]methyl]-1H-imidazole-2-sulfonyl chloride
PubChem CID130368730
Molecular FormulaC17H18ClN5O4S
Molecular Weight423.88 g/mol
Exact Mass423.08
IUPAC Name5-[[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propylamino]methyl]-1H-imidazole-2-sulfonyl chloride
SMILESO=C(NCCCNCc1cnc(S(=O)(=O)Cl)[nH]1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H18ClN5O4S/c18-28(25,26)17-21-11-13(22-17)10-19-7-4-8-20-16(24)14-9-15(27-23-14)12-5-2-1-3-6-12/h1-3,5-6,9,11,19H,4,7-8,10H2,(H,20,24)(H,21,22)
InChIKeyULIDASBNUTZQGI-UHFFFAOYSA-N
XLogP1.90
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propylamino]methyl]-1H-imidazole-2-sulfonyl chloride 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 5-[[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propylamino]methyl]-1H-imidazole-2-sulfonyl chloride?
The IUPAC name of 5-[[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propylamino]methyl]-1H-imidazole-2-sulfonyl chloride (CID 130368730) is 5-[[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propylamino]methyl]-1H-imidazole-2-sulfonyl chloride.
What is the SMILES notation for 5-[[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propylamino]methyl]-1H-imidazole-2-sulfonyl chloride?
The canonical SMILES for 5-[[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propylamino]methyl]-1H-imidazole-2-sulfonyl chloride is O=C(NCCCNCc1cnc(S(=O)(=O)Cl)[nH]1)c1cc(-c2ccccc2)on1.
What is the InChIKey of 5-[[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propylamino]methyl]-1H-imidazole-2-sulfonyl chloride?
The InChIKey is ULIDASBNUTZQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O4S/c18-28(25,26)17-21-11-13(22-17)10-19-7-4-8-20-16(24)14-9-15(27-23-14)12-5-2-1-3-6-12/h1-3,5-6,9,11,19H,4,7-8,10H2,(H,20,24)(H,21,22).
What are the key properties of 5-[[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propylamino]methyl]-1H-imidazole-2-sulfonyl chloride?
5-[[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propylamino]methyl]-1H-imidazole-2-sulfonyl chloride has a molecular weight of 423.88 g/mol, XLogP of 1.90, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propylamino]methyl]-1H-imidazole-2-sulfonyl chloride is sourced from PubChem (CID 130368730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).