4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine

C24H24N4O6S — CID 16650119

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine
SMILESCOc1cccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NCCCn3ccnc3)o2)c1
InChIInChI=1S/C24H24N4O6S/c1-31-18-5-2-4-17(14-18)22-27-24(23(34-22)26-8-3-10-28-11-9-25-16-28)35(29,30)19-6-7-20-21(15-19)33-13-12-32-20/h2,4-7,9,11,14-16,26H,3,8,10,12-13H2,1H3
InChIKeyZYBJDUSIOMCWHE-UHFFFAOYSA-N
MW496.55 g/mol
LogP3.65
Rot. Bonds9

About 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine (PubChem CID 16650119) has the molecular formula C24H24N4O6S and a molecular weight of 496.55 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine
PubChem CID16650119
Molecular FormulaC24H24N4O6S
Molecular Weight496.55 g/mol
Exact Mass496.14
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine
SMILESCOc1cccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NCCCn3ccnc3)o2)c1
InChIInChI=1S/C24H24N4O6S/c1-31-18-5-2-4-17(14-18)22-27-24(23(34-22)26-8-3-10-28-11-9-25-16-28)35(29,30)19-6-7-20-21(15-19)33-13-12-32-20/h2,4-7,9,11,14-16,26H,3,8,10,12-13H2,1H3
InChIKeyZYBJDUSIOMCWHE-UHFFFAOYSA-N
XLogP3.65
TPSA117.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine 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

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-oxazol-5-amine
CID 16650099
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazol-5-amine
CID 16649604
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methoxyphenyl)-N,N-dimethyl-1,3-oxazol-5-amine
CID 16650134
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methoxyethyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine
CID 16650010
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 16649810
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-ethoxypropyl)-2-phenyl-1,3-oxazol-5-amine
CID 16649622
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methoxyphenyl)-N-methyl-1,3-oxazol-5-amine
CID 16649809
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 16649775
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]-N',N'-diethylpropane-1,3-diamine
CID 16649900
4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine
CID 18825534
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-(2-phenylethyl)-1,3-oxazol-5-amine
CID 16649603
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methoxyphenyl)-5-(3-methylpiperidin-1-yl)-1,3-oxazole
CID 16650105

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine (CID 16650119) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine is COc1cccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NCCCn3ccnc3)o2)c1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine?
The InChIKey is ZYBJDUSIOMCWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6S/c1-31-18-5-2-4-17(14-18)22-27-24(23(34-22)26-8-3-10-28-11-9-25-16-28)35(29,30)19-6-7-20-21(15-19)33-13-12-32-20/h2,4-7,9,11,14-16,26H,3,8,10,12-13H2,1H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine?
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine has a molecular weight of 496.55 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 16650119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).