N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide

C24H24N6O2S — CID 44528360

About N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 44528360) has the molecular formula C24H24N6O2S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 44528360
• Molecular Formula: C24H24N6O2S
• Molecular Weight: 460.56 g/mol
• Exact Mass: 460.17
• IUPAC Name: N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C(=O)Nc2ccc3c(c2)CCN3C2CCN(Cc3ccc4nsnc4c3)C2)no1
• InChI: InChI=1S/C24H24N6O2S/c1-15-10-22(26-32-15)24(31)25-18-3-5-23-17(12-18)6-9-30(23)19-7-8-29(14-19)13-16-2-4-20-21(11-16)28-33-27-20/h2-5,10-12,19H,6-9,13-14H2,1H3,(H,25,31)
• InChIKey: RWCJJIFZYJOHPT-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.56
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 44528360) is N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)CCN3C2CCN(Cc3ccc4nsnc4c3)C2)no1.

What is the InChIKey of N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is RWCJJIFZYJOHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2S/c1-15-10-22(26-32-15)24(31)25-18-3-5-23-17(12-18)6-9-30(23)19-7-8-29(14-19)13-16-2-4-20-21(11-16)28-33-27-20/h2-5,10-12,19H,6-9,13-14H2,1H3,(H,25,31).

What are the key properties of N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?

N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 44528360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).