N-(2-fluorophenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]acetamide

C₁₈H₁₅FN₂O₄S — CID 78882457

About N-(2-fluorophenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]acetamide

N-(2-fluorophenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]acetamide (PubChem CID 78882457) has the molecular formula C₁₈H₁₅FN₂O₄S and a molecular weight of 374.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]acetamide.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]acetamide
• PubChem CID: 78882457
• Molecular Formula: C₁₈H₁₅FN₂O₄S
• Molecular Weight: 374.39 g/mol
• Exact Mass: 374.07
• IUPAC Name: N-(2-fluorophenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]acetamide
• SMILES: O=C(CS(=O)(=O)Cc1coc(-c2ccccc2)n1)Nc1ccccc1F
• InChI: InChI=1S/C18H15FN2O4S/c19-15-8-4-5-9-16(15)21-17(22)12-26(23,24)11-14-10-25-18(20-14)13-6-2-1-3-7-13/h1-10H,11-12H2,(H,21,22)
• InChIKey: NBEQZJUSRYLIHB-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 89.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.39
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]acetamide?

The IUPAC name of N-(2-fluorophenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]acetamide (CID 78882457) is N-(2-fluorophenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]acetamide.

What is the SMILES notation for N-(2-fluorophenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]acetamide?

The canonical SMILES for N-(2-fluorophenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]acetamide is O=C(CS(=O)(=O)Cc1coc(-c2ccccc2)n1)Nc1ccccc1F.

What is the InChIKey of N-(2-fluorophenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]acetamide?

The InChIKey is NBEQZJUSRYLIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S/c19-15-8-4-5-9-16(15)21-17(22)12-26(23,24)11-14-10-25-18(20-14)13-6-2-1-3-7-13/h1-10H,11-12H2,(H,21,22).

What are the key properties of N-(2-fluorophenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]acetamide?

N-(2-fluorophenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]acetamide has a molecular weight of 374.39 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]acetamide is sourced from PubChem (CID 78882457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 78882457 — identifiers, structure, computed properties (public domain)

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