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

C24H26N2O5S — CID 16649683

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

N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-amine (PubChem CID 16649683) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-amine.

Molecular Properties

• Compound Name: N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-amine
• PubChem CID: 16649683
• Molecular Formula: C24H26N2O5S
• Molecular Weight: 454.55 g/mol
• Exact Mass: 454.16
• IUPAC Name: N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-amine
• SMILES: Cc1ccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NC3CCCCC3)o2)cc1
• InChI: InChI=1S/C24H26N2O5S/c1-16-7-9-17(10-8-16)22-26-24(23(31-22)25-18-5-3-2-4-6-18)32(27,28)19-11-12-20-21(15-19)30-14-13-29-20/h7-12,15,18,25H,2-6,13-14H2,1H3
• InChIKey: SRWZAJGZCQWTOB-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 90.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.55
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-amine (CID 16649683) is N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-amine.

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

The canonical SMILES for N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-amine is Cc1ccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NC3CCCCC3)o2)cc1.

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

The InChIKey is SRWZAJGZCQWTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-16-7-9-17(10-8-16)22-26-24(23(31-22)25-18-5-3-2-4-6-18)32(27,28)19-11-12-20-21(15-19)30-14-13-29-20/h7-12,15,18,25H,2-6,13-14H2,1H3.

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

N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-amine has a molecular weight of 454.55 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 16649683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).