2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide

C₁₈H₂₃FN₂O₄S — CID 143964863

About 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide

2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide (PubChem CID 143964863) has the molecular formula C₁₈H₂₃FN₂O₄S and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide
• PubChem CID: 143964863
• Molecular Formula: C₁₈H₂₃FN₂O₄S
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.14
• IUPAC Name: 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide
• SMILES: C[C@H](O)C(C)(C)c1cc(NC(=O)C(C)(C)S(=O)c2ccc(F)cc2)on1
• InChI: InChI=1S/C18H23FN2O4S/c1-11(22)17(2,3)14-10-15(25-21-14)20-16(23)18(4,5)26(24)13-8-6-12(19)7-9-13/h6-11,22H,1-5H3,(H,20,23)/t11-,26?/m0/s1
• InChIKey: DSBSBGCQRDNRBT-AIGWJHGLSA-N
• XLogP: 3.00
• TPSA: 92.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide?

The IUPAC name of 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide (CID 143964863) is 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide.

What is the SMILES notation for 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide?

The canonical SMILES for 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide is C[C@H](O)C(C)(C)c1cc(NC(=O)C(C)(C)S(=O)c2ccc(F)cc2)on1.

What is the InChIKey of 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide?

The InChIKey is DSBSBGCQRDNRBT-AIGWJHGLSA-N. The full InChI is InChI=1S/C18H23FN2O4S/c1-11(22)17(2,3)14-10-15(25-21-14)20-16(23)18(4,5)26(24)13-8-6-12(19)7-9-13/h6-11,22H,1-5H3,(H,20,23)/t11-,26?/m0/s1.

What are the key properties of 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide?

2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide has a molecular weight of 382.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)sulfinyl-N-[3-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 143964863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143964863 — identifiers, structure, computed properties (public domain)

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