5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxan-2-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide

C18H20N2O7S — CID 166232588

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxan-2-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxan-2-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide (PubChem CID 166232588) has the molecular formula C18H20N2O7S and a molecular weight of 408.43 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxan-2-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxan-2-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 166232588
• Molecular Formula: C18H20N2O7S
• Molecular Weight: 408.43 g/mol
• Exact Mass: 408.10
• IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxan-2-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide
• SMILES: O=C(NS(=O)(=O)CC1CCCCO1)c1ncoc1-c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C18H20N2O7S/c21-18(20-28(22,23)10-13-3-1-2-6-24-13)16-17(27-11-19-16)12-4-5-14-15(9-12)26-8-7-25-14/h4-5,9,11,13H,1-3,6-8,10H2,(H,20,21)
• InChIKey: OJQZRWWFUKYCME-UHFFFAOYSA-N
• XLogP: 1.74
• TPSA: 116.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.43
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxan-2-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxan-2-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide (CID 166232588) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxan-2-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxan-2-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxan-2-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide is O=C(NS(=O)(=O)CC1CCCCO1)c1ncoc1-c1ccc2c(c1)OCCO2.

What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxan-2-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide?

The InChIKey is OJQZRWWFUKYCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7S/c21-18(20-28(22,23)10-13-3-1-2-6-24-13)16-17(27-11-19-16)12-4-5-14-15(9-12)26-8-7-25-14/h4-5,9,11,13H,1-3,6-8,10H2,(H,20,21).

What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxan-2-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide?

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxan-2-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxan-2-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 166232588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).