4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine

C20H20N2O5S — CID 16649583

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine
SMILESCC(C)Nc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H20N2O5S/c1-13(2)21-19-20(22-18(27-19)14-6-4-3-5-7-14)28(23,24)15-8-9-16-17(12-15)26-11-10-25-16/h3-9,12-13,21H,10-11H2,1-2H3
InChIKeyAMJZTUIEBHOGOS-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.77
Rot. Bonds5

About 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine (PubChem CID 16649583) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine
PubChem CID16649583
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine
SMILESCC(C)Nc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H20N2O5S/c1-13(2)21-19-20(22-18(27-19)14-6-4-3-5-7-14)28(23,24)15-8-9-16-17(12-15)26-11-10-25-16/h3-9,12-13,21H,10-11H2,1-2H3
InChIKeyAMJZTUIEBHOGOS-UHFFFAOYSA-N
XLogP3.77
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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)-N-(3-ethoxypropyl)-2-phenyl-1,3-oxazol-5-amine
CID 16649622
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-(4-methoxyphenyl)-N-methyl-1,3-oxazol-5-amine
CID 16649809
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-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 16649810
N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 16649683
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylpropyl)-2-(4-propoxyphenyl)-1,3-oxazol-5-amine
CID 16649928
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-methyl-1,3-oxazol-5-amine
CID 16650322
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methylphenyl)-N-prop-2-enyl-1,3-oxazol-5-amine
CID 16650026
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
CID 16649767
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-2-(4-propoxyphenyl)-1,3-oxazol-5-amine
CID 16649923

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine (CID 16649583) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine is CC(C)Nc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine?
The InChIKey is AMJZTUIEBHOGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-13(2)21-19-20(22-18(27-19)14-6-4-3-5-7-14)28(23,24)15-8-9-16-17(12-15)26-11-10-25-16/h3-9,12-13,21H,10-11H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine?
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine has a molecular weight of 400.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine is sourced from PubChem (CID 16649583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).