[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate

C19H20N2O5S — CID 7799121

About [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate

[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate (PubChem CID 7799121) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate.

Molecular Properties

• Compound Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
• PubChem CID: 7799121
• Molecular Formula: C19H20N2O5S
• Molecular Weight: 388.45 g/mol
• Exact Mass: 388.11
• IUPAC Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
• SMILES: Cc1cc(NC(=O)CSCC(=O)OCC(=O)c2ccc3c(c2)CCC3)no1
• InChI: InChI=1S/C19H20N2O5S/c1-12-7-17(21-26-12)20-18(23)10-27-11-19(24)25-9-16(22)15-6-5-13-3-2-4-14(13)8-15/h5-8H,2-4,9-11H2,1H3,(H,20,21,23)
• InChIKey: GGODZJUXQOVBNR-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 98.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.45
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate?

The IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate (CID 7799121) is [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate.

What is the SMILES notation for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate?

The canonical SMILES for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate is Cc1cc(NC(=O)CSCC(=O)OCC(=O)c2ccc3c(c2)CCC3)no1.

What is the InChIKey of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate?

The InChIKey is GGODZJUXQOVBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-12-7-17(21-26-12)20-18(23)10-27-11-19(24)25-9-16(22)15-6-5-13-3-2-4-14(13)8-15/h5-8H,2-4,9-11H2,1H3,(H,20,21,23).

What are the key properties of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate?

[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate has a molecular weight of 388.45 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate is sourced from PubChem (CID 7799121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).