[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate

C₁₉H₁₅N₃O₅S — CID 8988220

About [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate

[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate (PubChem CID 8988220) has the molecular formula C₁₉H₁₅N₃O₅S and a molecular weight of 397.41 g/mol. Its IUPAC name is [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate.

Molecular Properties

• Compound Name: [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate
• PubChem CID: 8988220
• Molecular Formula: C₁₉H₁₅N₃O₅S
• Molecular Weight: 397.41 g/mol
• Exact Mass: 397.07
• IUPAC Name: [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate
• SMILES: Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nc4ccccc4s3)o2)no1
• InChI: InChI=1S/C19H15N3O5S/c1-10-9-16(22-27-10)21-17(23)11(2)25-19(24)14-8-7-13(26-14)18-20-12-5-3-4-6-15(12)28-18/h3-9,11H,1-2H3,(H,21,22,23)/t11-/m1/s1
• InChIKey: AJCCBKNNMSGODN-LLVKDONJSA-N
• XLogP: 4.04
• TPSA: 107.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.41
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate?

The IUPAC name of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate (CID 8988220) is [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate.

What is the SMILES notation for [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate?

The canonical SMILES for [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate is Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nc4ccccc4s3)o2)no1.

What is the InChIKey of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate?

The InChIKey is AJCCBKNNMSGODN-LLVKDONJSA-N. The full InChI is InChI=1S/C19H15N3O5S/c1-10-9-16(22-27-10)21-17(23)11(2)25-19(24)14-8-7-13(26-14)18-20-12-5-3-4-6-15(12)28-18/h3-9,11H,1-2H3,(H,21,22,23)/t11-/m1/s1.

What are the key properties of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate?

[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate has a molecular weight of 397.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate is sourced from PubChem (CID 8988220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 8988220 — identifiers, structure, computed properties (public domain)

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