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

C16H20N2O5S — CID 66558021

IUPACN-hydroxy-2-methyl-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-methylsulfonylbutanamide
SMILESCc1ccc(-c2cc(CCC(C)(C(=O)NO)S(C)(=O)=O)on2)cc1
InChIInChI=1S/C16H20N2O5S/c1-11-4-6-12(7-5-11)14-10-13(23-18-14)8-9-16(2,15(19)17-20)24(3,21)22/h4-7,10,20H,8-9H2,1-3H3,(H,17,19)
InChIKeyOMCCRZYPUNCTEJ-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.89
Rot. Bonds6

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

N-hydroxy-2-methyl-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-methylsulfonylbutanamide (PubChem CID 66558021) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is N-hydroxy-2-methyl-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-methylsulfonylbutanamide
PubChem CID66558021
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC NameN-hydroxy-2-methyl-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-methylsulfonylbutanamide
SMILESCc1ccc(-c2cc(CCC(C)(C(=O)NO)S(C)(=O)=O)on2)cc1
InChIInChI=1S/C16H20N2O5S/c1-11-4-6-12(7-5-11)14-10-13(23-18-14)8-9-16(2,15(19)17-20)24(3,21)22/h4-7,10,20H,8-9H2,1-3H3,(H,17,19)
InChIKeyOMCCRZYPUNCTEJ-UHFFFAOYSA-N
XLogP1.89
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.89
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 N-hydroxy-2-methyl-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-2-methyl-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-methylsulfonylbutanamide (CID 66558021) is N-hydroxy-2-methyl-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-2-methyl-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-2-methyl-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-methylsulfonylbutanamide is Cc1ccc(-c2cc(CCC(C)(C(=O)NO)S(C)(=O)=O)on2)cc1.
What is the InChIKey of N-hydroxy-2-methyl-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-methylsulfonylbutanamide?
The InChIKey is OMCCRZYPUNCTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-11-4-6-12(7-5-11)14-10-13(23-18-14)8-9-16(2,15(19)17-20)24(3,21)22/h4-7,10,20H,8-9H2,1-3H3,(H,17,19).
What are the key properties of N-hydroxy-2-methyl-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-methylsulfonylbutanamide?
N-hydroxy-2-methyl-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-methylsulfonylbutanamide has a molecular weight of 352.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-4-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-methylsulfonylbutanamide is sourced from PubChem (CID 66558021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).