N-[[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1,2-oxazol-3-yl]methyl]-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

C22H22N4O4S — CID 93487189

About N-[[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1,2-oxazol-3-yl]methyl]-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

N-[[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1,2-oxazol-3-yl]methyl]-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (PubChem CID 93487189) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is N-[[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1,2-oxazol-3-yl]methyl]-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1,2-oxazol-3-yl]methyl]-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
• PubChem CID: 93487189
• Molecular Formula: C22H22N4O4S
• Molecular Weight: 438.51 g/mol
• Exact Mass: 438.14
• IUPAC Name: N-[[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1,2-oxazol-3-yl]methyl]-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
• SMILES: Cc1cnc2n(c1=O)[C@H](CC(=O)NCc1cc(-c3ccc4c(c3)O[C@@H](C)C4)on1)CS2
• InChI: InChI=1S/C22H22N4O4S/c1-12-9-24-22-26(21(12)28)17(11-31-22)8-20(27)23-10-16-7-19(30-25-16)15-4-3-14-5-13(2)29-18(14)6-15/h3-4,6-7,9,13,17H,5,8,10-11H2,1-2H3,(H,23,27)/t13-,17+/m0/s1
• InChIKey: RUAZTLGRLPVARR-SUMWQHHRSA-N
• XLogP: 2.88
• TPSA: 99.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.51
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1,2-oxazol-3-yl]methyl]-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?

The IUPAC name of N-[[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1,2-oxazol-3-yl]methyl]-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (CID 93487189) is N-[[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1,2-oxazol-3-yl]methyl]-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.

What is the SMILES notation for N-[[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1,2-oxazol-3-yl]methyl]-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?

The canonical SMILES for N-[[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1,2-oxazol-3-yl]methyl]-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is Cc1cnc2n(c1=O)[C@H](CC(=O)NCc1cc(-c3ccc4c(c3)O[C@@H](C)C4)on1)CS2.

What is the InChIKey of N-[[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1,2-oxazol-3-yl]methyl]-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?

The InChIKey is RUAZTLGRLPVARR-SUMWQHHRSA-N. The full InChI is InChI=1S/C22H22N4O4S/c1-12-9-24-22-26(21(12)28)17(11-31-22)8-20(27)23-10-16-7-19(30-25-16)15-4-3-14-5-13(2)29-18(14)6-15/h3-4,6-7,9,13,17H,5,8,10-11H2,1-2H3,(H,23,27)/t13-,17+/m0/s1.

What are the key properties of N-[[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1,2-oxazol-3-yl]methyl]-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?

N-[[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1,2-oxazol-3-yl]methyl]-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide has a molecular weight of 438.51 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1,2-oxazol-3-yl]methyl]-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 93487189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).