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

C15H12N4O4S — CID 91497694

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

5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 91497694) has the molecular formula C15H12N4O4S and a molecular weight of 344.35 g/mol. Its IUPAC name is 5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
• PubChem CID: 91497694
• Molecular Formula: C15H12N4O4S
• Molecular Weight: 344.35 g/mol
• Exact Mass: 344.06
• IUPAC Name: 5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
• SMILES: Nc1onc(-c2nccs2)c1C(=O)Nc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C15H12N4O4S/c16-13-11(12(19-23-13)15-17-3-6-24-15)14(20)18-8-1-2-9-10(7-8)22-5-4-21-9/h1-3,6-7H,4-5,16H2,(H,18,20)
• InChIKey: LYQLDMATQKTBDE-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 112.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.35
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 91497694) is 5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.

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

The canonical SMILES for 5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is Nc1onc(-c2nccs2)c1C(=O)Nc1ccc2c(c1)OCCO2.

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

The InChIKey is LYQLDMATQKTBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4S/c16-13-11(12(19-23-13)15-17-3-6-24-15)14(20)18-8-1-2-9-10(7-8)22-5-4-21-9/h1-3,6-7H,4-5,16H2,(H,18,20).

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

5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 91497694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).