2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)acetamide

C16H16ClF2N5O3S — CID 162532733

About 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)acetamide

2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)acetamide (PubChem CID 162532733) has the molecular formula C16H16ClF2N5O3S and a molecular weight of 431.85 g/mol. Its IUPAC name is 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)acetamide.

Molecular Properties

• Compound Name: 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)acetamide
• PubChem CID: 162532733
• Molecular Formula: C16H16ClF2N5O3S
• Molecular Weight: 431.85 g/mol
• Exact Mass: 431.06
• IUPAC Name: 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)acetamide
• SMILES: CC(C)S(C)(=O)=NC(=O)Cc1cn2ccc(-c3noc(C(F)(F)Cl)n3)cc2n1
• InChI: InChI=1S/C16H16ClF2N5O3S/c1-9(2)28(3,26)23-13(25)7-11-8-24-5-4-10(6-12(24)20-11)14-21-15(27-22-14)16(17,18)19/h4-6,8-9H,7H2,1-3H3
• InChIKey: ZVJDRVAYNXUKHJ-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 102.72 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.85
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)acetamide?

The IUPAC name of 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)acetamide (CID 162532733) is 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)acetamide.

What is the SMILES notation for 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)acetamide?

The canonical SMILES for 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)acetamide is CC(C)S(C)(=O)=NC(=O)Cc1cn2ccc(-c3noc(C(F)(F)Cl)n3)cc2n1.

What is the InChIKey of 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)acetamide?

The InChIKey is ZVJDRVAYNXUKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N5O3S/c1-9(2)28(3,26)23-13(25)7-11-8-24-5-4-10(6-12(24)20-11)14-21-15(27-22-14)16(17,18)19/h4-6,8-9H,7H2,1-3H3.

What are the key properties of 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)acetamide?

2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)acetamide has a molecular weight of 431.85 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]-N-(methyl-oxo-propan-2-yl-λ6-sulfanylidene)acetamide is sourced from PubChem (CID 162532733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).