N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

C22H19N3O4S — CID 24599330

About N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 24599330) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 24599330
• Molecular Formula: C22H19N3O4S
• Molecular Weight: 421.48 g/mol
• Exact Mass: 421.11
• IUPAC Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: Cc1ccc(-c2cnc(CCC(=O)Nc3nc4cc5c(cc4s3)OCCO5)o2)cc1
• InChI: InChI=1S/C22H19N3O4S/c1-13-2-4-14(5-3-13)18-12-23-21(29-18)7-6-20(26)25-22-24-15-10-16-17(11-19(15)30-22)28-9-8-27-16/h2-5,10-12H,6-9H2,1H3,(H,24,25,26)
• InChIKey: DINXKVRHVTVGFE-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.48
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?

The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (CID 24599330) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.

What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?

The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is Cc1ccc(-c2cnc(CCC(=O)Nc3nc4cc5c(cc4s3)OCCO5)o2)cc1.

What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?

The InChIKey is DINXKVRHVTVGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-13-2-4-14(5-3-13)18-12-23-21(29-18)7-6-20(26)25-22-24-15-10-16-17(11-19(15)30-22)28-9-8-27-16/h2-5,10-12H,6-9H2,1H3,(H,24,25,26).

What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 421.48 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 24599330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).