[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate

C20H25N3O5S — CID 7953523

About [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate (PubChem CID 7953523) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate.

Molecular Properties

• Compound Name: [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
• PubChem CID: 7953523
• Molecular Formula: C20H25N3O5S
• Molecular Weight: 419.50 g/mol
• Exact Mass: 419.15
• IUPAC Name: [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
• SMILES: Cc1cc(NC(=O)[C@@H](C)SCC(=O)OCC(=O)Nc2ccc(C(C)C)cc2)no1
• InChI: InChI=1S/C20H25N3O5S/c1-12(2)15-5-7-16(8-6-15)21-18(24)10-27-19(25)11-29-14(4)20(26)22-17-9-13(3)28-23-17/h5-9,12,14H,10-11H2,1-4H3,(H,21,24)(H,22,23,26)/t14-/m1/s1
• InChIKey: XFYNXSHUMWGGOP-CQSZACIVSA-N
• XLogP: 3.35
• TPSA: 110.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.50
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate?

The IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate (CID 7953523) is [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate.

What is the SMILES notation for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate?

The canonical SMILES for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate is Cc1cc(NC(=O)[C@@H](C)SCC(=O)OCC(=O)Nc2ccc(C(C)C)cc2)no1.

What is the InChIKey of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate?

The InChIKey is XFYNXSHUMWGGOP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-12(2)15-5-7-16(8-6-15)21-18(24)10-27-19(25)11-29-14(4)20(26)22-17-9-13(3)28-23-17/h5-9,12,14H,10-11H2,1-4H3,(H,21,24)(H,22,23,26)/t14-/m1/s1.

What are the key properties of [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate?

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate has a molecular weight of 419.50 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate is sourced from PubChem (CID 7953523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).