5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-3-phenyl-1H-indol-2-one;sulfane

C22H25N3O3S — CID 159707842

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-3-phenyl-1H-indol-2-one;sulfane

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-3-phenyl-1H-indol-2-one;sulfane (PubChem CID 159707842) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-3-phenyl-1H-indol-2-one;sulfane.

Molecular Properties

• Compound Name: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-3-phenyl-1H-indol-2-one;sulfane
• PubChem CID: 159707842
• Molecular Formula: C22H25N3O3S
• Molecular Weight: 411.53 g/mol
• Exact Mass: 411.16
• IUPAC Name: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-3-phenyl-1H-indol-2-one;sulfane
• SMILES: Cc1noc(C)c1-c1ccc2c(c1)C(NC[C@H](C)O)(c1ccccc1)C(=O)N2.S
• InChI: InChI=1S/C22H23N3O3.H2S/c1-13(26)12-23-22(17-7-5-4-6-8-17)18-11-16(9-10-19(18)24-21(22)27)20-14(2)25-28-15(20)3;/h4-11,13,23,26H,12H2,1-3H3,(H,24,27);1H2/t13-,22?;/m0./s1
• InChIKey: MYLGIRVCWHYFES-GEEPNXPRSA-N
• XLogP: 3.24
• TPSA: 87.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.53
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-3-phenyl-1H-indol-2-one;sulfane?

The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-3-phenyl-1H-indol-2-one;sulfane (CID 159707842) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-3-phenyl-1H-indol-2-one;sulfane.

What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-3-phenyl-1H-indol-2-one;sulfane?

The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-3-phenyl-1H-indol-2-one;sulfane is Cc1noc(C)c1-c1ccc2c(c1)C(NC[C@H](C)O)(c1ccccc1)C(=O)N2.S.

What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-3-phenyl-1H-indol-2-one;sulfane?

The InChIKey is MYLGIRVCWHYFES-GEEPNXPRSA-N. The full InChI is InChI=1S/C22H23N3O3.H2S/c1-13(26)12-23-22(17-7-5-4-6-8-17)18-11-16(9-10-19(18)24-21(22)27)20-14(2)25-28-15(20)3;/h4-11,13,23,26H,12H2,1-3H3,(H,24,27);1H2/t13-,22?;/m0./s1.

What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-3-phenyl-1H-indol-2-one;sulfane?

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-3-phenyl-1H-indol-2-one;sulfane has a molecular weight of 411.53 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(2S)-2-hydroxypropyl]amino]-3-phenyl-1H-indol-2-one;sulfane is sourced from PubChem (CID 159707842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).