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

C14H14ClN3O2S — CID 106923289

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

5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 106923289) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one
• PubChem CID: 106923289
• Molecular Formula: C14H14ClN3O2S
• Molecular Weight: 323.81 g/mol
• Exact Mass: 323.05
• IUPAC Name: 5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one
• SMILES: CNC1C(=O)Nc2cc(Sc3nc(C)c(C)o3)c(Cl)cc21
• InChI: InChI=1S/C14H14ClN3O2S/c1-6-7(2)20-14(17-6)21-11-5-10-8(4-9(11)15)12(16-3)13(19)18-10/h4-5,12,16H,1-3H3,(H,18,19)
• InChIKey: XVZVSNXQIQBXLM-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 67.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.81
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one (CID 106923289) is 5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one.

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

The canonical SMILES for 5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(Sc3nc(C)c(C)o3)c(Cl)cc21.

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

The InChIKey is XVZVSNXQIQBXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c1-6-7(2)20-14(17-6)21-11-5-10-8(4-9(11)15)12(16-3)13(19)18-10/h4-5,12,16H,1-3H3,(H,18,19).

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

5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 323.81 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106923289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).