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

C25H22N2O5S — CID 16649603

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-(2-phenylethyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)oc1NCCc1ccccc1
InChIInChI=1S/C25H22N2O5S/c28-33(29,20-11-12-21-22(17-20)31-16-15-30-21)25-24(26-14-13-18-7-3-1-4-8-18)32-23(27-25)19-9-5-2-6-10-19/h1-12,17,26H,13-16H2
InChIKeyOTCKBSUFZCYJEI-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.60
Rot. Bonds7

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

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-(2-phenylethyl)-1,3-oxazol-5-amine (PubChem CID 16649603) has the molecular formula C25H22N2O5S and a molecular weight of 462.53 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-(2-phenylethyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-(2-phenylethyl)-1,3-oxazol-5-amine
PubChem CID16649603
Molecular FormulaC25H22N2O5S
Molecular Weight462.53 g/mol
Exact Mass462.12
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-(2-phenylethyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)oc1NCCc1ccccc1
InChIInChI=1S/C25H22N2O5S/c28-33(29,20-11-12-21-22(17-20)31-16-15-30-21)25-24(26-14-13-18-7-3-1-4-8-18)32-23(27-25)19-9-5-2-6-10-19/h1-12,17,26H,13-16H2
InChIKeyOTCKBSUFZCYJEI-UHFFFAOYSA-N
XLogP4.60
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-(2-phenylethyl)-1,3-oxazol-5-amine with MolForge

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Related Compounds

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-(2-fluorophenyl)-N-(2-phenylethyl)-1,3-oxazol-5-amine
CID 16650344
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)-N-(3-ethoxypropyl)-2-phenyl-1,3-oxazol-5-amine
CID 16649622
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-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
CID 16649767
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-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 16649782
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-(3,4-dimethoxyphenyl)ethyl]-2-(4-propoxyphenyl)-1,3-oxazol-5-amine
CID 16649947
N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
CID 18825354
N-[2-(2-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazol-5-yl]-N',N'-dimethylethane-1,2-diamine
CID 16650298

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-(2-phenylethyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-(2-phenylethyl)-1,3-oxazol-5-amine (CID 16649603) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-(2-phenylethyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-(2-phenylethyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-(2-phenylethyl)-1,3-oxazol-5-amine is O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)oc1NCCc1ccccc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-(2-phenylethyl)-1,3-oxazol-5-amine?
The InChIKey is OTCKBSUFZCYJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5S/c28-33(29,20-11-12-21-22(17-20)31-16-15-30-21)25-24(26-14-13-18-7-3-1-4-8-18)32-23(27-25)19-9-5-2-6-10-19/h1-12,17,26H,13-16H2.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-(2-phenylethyl)-1,3-oxazol-5-amine?
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-(2-phenylethyl)-1,3-oxazol-5-amine has a molecular weight of 462.53 g/mol, XLogP of 4.60, 7 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-(2-phenylethyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 16649603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).