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

C24H26N2O7S — CID 16649902

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

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine (PubChem CID 16649902) has the molecular formula C24H26N2O7S and a molecular weight of 486.55 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine.

Molecular Properties

• Compound Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
• PubChem CID: 16649902
• Molecular Formula: C24H26N2O7S
• Molecular Weight: 486.55 g/mol
• Exact Mass: 486.15
• IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
• SMILES: CCOc1ccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NCC3CCCO3)o2)cc1
• InChI: InChI=1S/C24H26N2O7S/c1-2-29-17-7-5-16(6-8-17)22-26-24(23(33-22)25-15-18-4-3-11-30-18)34(27,28)19-9-10-20-21(14-19)32-13-12-31-20/h5-10,14,18,25H,2-4,11-13,15H2,1H3
• InChIKey: HCTMYQUIRSNXCI-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 109.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.55
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine?

The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine (CID 16649902) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine.

What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine?

The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine is CCOc1ccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NCC3CCCO3)o2)cc1.

What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine?

The InChIKey is HCTMYQUIRSNXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O7S/c1-2-29-17-7-5-16(6-8-17)22-26-24(23(33-22)25-15-18-4-3-11-30-18)34(27,28)19-9-10-20-21(14-19)32-13-12-31-20/h5-10,14,18,25H,2-4,11-13,15H2,1H3.

What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine?

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine has a molecular weight of 486.55 g/mol, XLogP of 3.94, 8 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-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 16649902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).