4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C15H17FN2O5S — CID 66557925

IUPAC4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1cc(-c2cccc(F)c2)on1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C15H17FN2O5S/c1-15(14(19)17-20,24(2,21)22)7-6-12-9-13(23-18-12)10-4-3-5-11(16)8-10/h3-5,8-9,20H,6-7H2,1-2H3,(H,17,19)
InChIKeyHCAKSFLTMKRPJR-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.72
Rot. Bonds6

About 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 66557925) has the molecular formula C15H17FN2O5S and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID66557925
Molecular FormulaC15H17FN2O5S
Molecular Weight356.38 g/mol
Exact Mass356.08
IUPAC Name4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1cc(-c2cccc(F)c2)on1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C15H17FN2O5S/c1-15(14(19)17-20,24(2,21)22)7-6-12-9-13(23-18-12)10-4-3-5-11(16)8-10/h3-5,8-9,20H,6-7H2,1-2H3,(H,17,19)
InChIKeyHCAKSFLTMKRPJR-UHFFFAOYSA-N
XLogP1.72
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 66557925) is 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCc1cc(-c2cccc(F)c2)on1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is HCAKSFLTMKRPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O5S/c1-15(14(19)17-20,24(2,21)22)7-6-12-9-13(23-18-12)10-4-3-5-11(16)8-10/h3-5,8-9,20H,6-7H2,1-2H3,(H,17,19).
What are the key properties of 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 356.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 66557925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).