5-chloro-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one

C13H12ClN3O2S — CID 106923206

About 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one

5-chloro-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (PubChem CID 106923206) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
• PubChem CID: 106923206
• Molecular Formula: C13H12ClN3O2S
• Molecular Weight: 309.78 g/mol
• Exact Mass: 309.03
• IUPAC Name: 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
• SMILES: CNC1C(=O)Nc2cc(Sc3nc(C)co3)c(Cl)cc21
• InChI: InChI=1S/C13H12ClN3O2S/c1-6-5-19-13(16-6)20-10-4-9-7(3-8(10)14)11(15-2)12(18)17-9/h3-5,11,15H,1-2H3,(H,17,18)
• InChIKey: SEHPJFXKVLOEKC-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 67.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.78
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?

The IUPAC name of 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (CID 106923206) is 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.

What is the SMILES notation for 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?

The canonical SMILES for 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(Sc3nc(C)co3)c(Cl)cc21.

What is the InChIKey of 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?

The InChIKey is SEHPJFXKVLOEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c1-6-5-19-13(16-6)20-10-4-9-7(3-8(10)14)11(15-2)12(18)17-9/h3-5,11,15H,1-2H3,(H,17,18).

What are the key properties of 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?

5-chloro-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one has a molecular weight of 309.78 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 106923206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).