N-(1-hydroxy-4-methylpentan-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide

C10H18N2O4S — CID 75387049

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)Cc1ccon1
InChIInChI=1S/C10H18N2O4S/c1-8(2)5-10(6-13)12-17(14,15)7-9-3-4-16-11-9/h3-4,8,10,12-13H,5-7H2,1-2H3
InChIKeyLYMGEUQJNKCXLA-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.50
Rot. Bonds7

About N-(1-hydroxy-4-methylpentan-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide

N-(1-hydroxy-4-methylpentan-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 75387049) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID75387049
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)Cc1ccon1
InChIInChI=1S/C10H18N2O4S/c1-8(2)5-10(6-13)12-17(14,15)7-9-3-4-16-11-9/h3-4,8,10,12-13H,5-7H2,1-2H3
InChIKeyLYMGEUQJNKCXLA-UHFFFAOYSA-N
XLogP0.50
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 75387049) is N-(1-hydroxy-4-methylpentan-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide is CC(C)CC(CO)NS(=O)(=O)Cc1ccon1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is LYMGEUQJNKCXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-8(2)5-10(6-13)12-17(14,15)7-9-3-4-16-11-9/h3-4,8,10,12-13H,5-7H2,1-2H3.
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-(1-hydroxy-4-methylpentan-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 262.33 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 75387049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).