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

C20H20N2O6S — CID 16650134

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methoxyphenyl)-N,N-dimethyl-1,3-oxazol-5-amine
SMILESCOc1cccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(N(C)C)o2)c1
InChIInChI=1S/C20H20N2O6S/c1-22(2)20-19(21-18(28-20)13-5-4-6-14(11-13)25-3)29(23,24)15-7-8-16-17(12-15)27-10-9-26-16/h4-8,11-12H,9-10H2,1-3H3
InChIKeyWCDDXJAJKOHZME-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.02
Rot. Bonds5

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

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methoxyphenyl)-N,N-dimethyl-1,3-oxazol-5-amine (PubChem CID 16650134) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methoxyphenyl)-N,N-dimethyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methoxyphenyl)-N,N-dimethyl-1,3-oxazol-5-amine
PubChem CID16650134
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methoxyphenyl)-N,N-dimethyl-1,3-oxazol-5-amine
SMILESCOc1cccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(N(C)C)o2)c1
InChIInChI=1S/C20H20N2O6S/c1-22(2)20-19(21-18(28-20)13-5-4-6-14(11-13)25-3)29(23,24)15-7-8-16-17(12-15)27-10-9-26-16/h4-8,11-12H,9-10H2,1-3H3
InChIKeyWCDDXJAJKOHZME-UHFFFAOYSA-N
XLogP3.02
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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)-2-(3-methoxyphenyl)-5-(3-methylpiperidin-1-yl)-1,3-oxazole
CID 16650105
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 16650119
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)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 16649810
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)-N-(2-methoxyethyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine
CID 16650010
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3,4-dimethoxyphenyl)-N-methyl-1,3-oxazol-5-amine
CID 16650151
4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine
CID 16649988
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine
CID 16649583
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 16649775
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 16650417

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methoxyphenyl)-N,N-dimethyl-1,3-oxazol-5-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methoxyphenyl)-N,N-dimethyl-1,3-oxazol-5-amine (CID 16650134) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methoxyphenyl)-N,N-dimethyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methoxyphenyl)-N,N-dimethyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methoxyphenyl)-N,N-dimethyl-1,3-oxazol-5-amine is COc1cccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(N(C)C)o2)c1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methoxyphenyl)-N,N-dimethyl-1,3-oxazol-5-amine?
The InChIKey is WCDDXJAJKOHZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S/c1-22(2)20-19(21-18(28-20)13-5-4-6-14(11-13)25-3)29(23,24)15-7-8-16-17(12-15)27-10-9-26-16/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methoxyphenyl)-N,N-dimethyl-1,3-oxazol-5-amine?
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methoxyphenyl)-N,N-dimethyl-1,3-oxazol-5-amine has a molecular weight of 416.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methoxyphenyl)-N,N-dimethyl-1,3-oxazol-5-amine is sourced from PubChem (CID 16650134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).