N-(2-methoxy-5-nitrophenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C16H13N5O5S — CID 3887449

About N-(2-methoxy-5-nitrophenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(2-methoxy-5-nitrophenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3887449) has the molecular formula C16H13N5O5S and a molecular weight of 387.38 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2-methoxy-5-nitrophenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 3887449
• Molecular Formula: C16H13N5O5S
• Molecular Weight: 387.38 g/mol
• Exact Mass: 387.06
• IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• SMILES: COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccn2)o1
• InChI: InChI=1S/C16H13N5O5S/c1-25-13-6-5-10(21(23)24)8-12(13)18-14(22)9-27-16-20-19-15(26-16)11-4-2-3-7-17-11/h2-8H,9H2,1H3,(H,18,22)
• InChIKey: FELIKOSYAZIHNG-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 133.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.38
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 3887449) is N-(2-methoxy-5-nitrophenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccn2)o1.

What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The InChIKey is FELIKOSYAZIHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O5S/c1-25-13-6-5-10(21(23)24)8-12(13)18-14(22)9-27-16-20-19-15(26-16)11-4-2-3-7-17-11/h2-8H,9H2,1H3,(H,18,22).

What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

N-(2-methoxy-5-nitrophenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 387.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxy-5-nitrophenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3887449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).