(3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate

C18H19N3O5S — CID 9473298

About (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate

(3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate (PubChem CID 9473298) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate.

Molecular Properties

• Compound Name: (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate
• PubChem CID: 9473298
• Molecular Formula: C18H19N3O5S
• Molecular Weight: 389.43 g/mol
• Exact Mass: 389.10
• IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate
• SMILES: Cc1cc(COC(=O)[C@H]2CCCCN2C2=NS(=O)(=O)c3ccccc32)on1
• InChI: InChI=1S/C18H19N3O5S/c1-12-10-13(26-19-12)11-25-18(22)15-7-4-5-9-21(15)17-14-6-2-3-8-16(14)27(23,24)20-17/h2-3,6,8,10,15H,4-5,7,9,11H2,1H3/t15-/m1/s1
• InChIKey: IFNIVYVGLXDHPV-OAHLLOKOSA-N
• XLogP: 2.03
• TPSA: 102.07 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.43
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate?

The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate (CID 9473298) is (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate.

What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate?

The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate is Cc1cc(COC(=O)[C@H]2CCCCN2C2=NS(=O)(=O)c3ccccc32)on1.

What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate?

The InChIKey is IFNIVYVGLXDHPV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-12-10-13(26-19-12)11-25-18(22)15-7-4-5-9-21(15)17-14-6-2-3-8-16(14)27(23,24)20-17/h2-3,6,8,10,15H,4-5,7,9,11H2,1H3/t15-/m1/s1.

What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate?

(3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate is sourced from PubChem (CID 9473298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).