N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide

C25H23N5O4S — CID 176594547

About N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide

N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide (PubChem CID 176594547) has the molecular formula C25H23N5O4S and a molecular weight of 489.56 g/mol. Its IUPAC name is N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
• PubChem CID: 176594547
• Molecular Formula: C25H23N5O4S
• Molecular Weight: 489.56 g/mol
• Exact Mass: 489.15
• IUPAC Name: N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
• SMILES: COc1ncc(-c2ccc3nc(NC(C)=O)sc3c2)cc1NC(=O)N1OCCC1c1ccccc1
• InChI: InChI=1S/C25H23N5O4S/c1-15(31)27-24-28-19-9-8-17(13-22(19)35-24)18-12-20(23(33-2)26-14-18)29-25(32)30-21(10-11-34-30)16-6-4-3-5-7-16/h3-9,12-14,21H,10-11H2,1-2H3,(H,29,32)(H,27,28,31)
• InChIKey: WJEQKWOGOBCIJA-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 105.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.56
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?

The IUPAC name of N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide (CID 176594547) is N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide.

What is the SMILES notation for N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?

The canonical SMILES for N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide is COc1ncc(-c2ccc3nc(NC(C)=O)sc3c2)cc1NC(=O)N1OCCC1c1ccccc1.

What is the InChIKey of N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?

The InChIKey is WJEQKWOGOBCIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4S/c1-15(31)27-24-28-19-9-8-17(13-22(19)35-24)18-12-20(23(33-2)26-14-18)29-25(32)30-21(10-11-34-30)16-6-4-3-5-7-16/h3-9,12-14,21H,10-11H2,1-2H3,(H,29,32)(H,27,28,31).

What are the key properties of N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?

N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide has a molecular weight of 489.56 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide is sourced from PubChem (CID 176594547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).