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

C25H22N2O7S — CID 16650417

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
SMILESCOc1ccc(Nc2oc(-c3ccccc3OC)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C25H22N2O7S/c1-30-17-9-7-16(8-10-17)26-24-25(27-23(34-24)19-5-3-4-6-20(19)31-2)35(28,29)18-11-12-21-22(15-18)33-14-13-32-21/h3-12,15,26H,13-14H2,1-2H3
InChIKeyGJYAWDTZWZESNF-UHFFFAOYSA-N
MW494.53 g/mol
LogP4.71
Rot. Bonds7

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

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine (PubChem CID 16650417) has the molecular formula C25H22N2O7S and a molecular weight of 494.53 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
PubChem CID16650417
Molecular FormulaC25H22N2O7S
Molecular Weight494.53 g/mol
Exact Mass494.11
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
SMILESCOc1ccc(Nc2oc(-c3ccccc3OC)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C25H22N2O7S/c1-30-17-9-7-16(8-10-17)26-24-25(27-23(34-24)19-5-3-4-6-20(19)31-2)35(28,29)18-11-12-21-22(15-18)33-14-13-32-21/h3-12,15,26H,13-14H2,1-2H3
InChIKeyGJYAWDTZWZESNF-UHFFFAOYSA-N
XLogP4.71
TPSA109.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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-(2-fluorophenyl)-N-methyl-1,3-oxazol-5-amine
CID 16650322
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 16649810
N-(4-methoxyphenyl)-2-(2-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825611
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-(3,4-dimethoxyphenyl)-N-methyl-1,3-oxazol-5-amine
CID 16650151
4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826947
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-propan-2-yl-1,3-oxazol-5-amine
CID 16649583
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
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-oxazol-5-amine
CID 16650099
2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826852
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 16649775

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine (CID 16650417) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine is COc1ccc(Nc2oc(-c3ccccc3OC)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine?
The InChIKey is GJYAWDTZWZESNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O7S/c1-30-17-9-7-16(8-10-17)26-24-25(27-23(34-24)19-5-3-4-6-20(19)31-2)35(28,29)18-11-12-21-22(15-18)33-14-13-32-21/h3-12,15,26H,13-14H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine?
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine has a molecular weight of 494.53 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 16650417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).