N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxybutane-1-sulfonamide

C10H18N2O4S — CID 79238653

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxybutane-1-sulfonamide
SMILESCc1noc(C)c1CNS(=O)(=O)CCCCO
InChIInChI=1S/C10H18N2O4S/c1-8-10(9(2)16-12-8)7-11-17(14,15)6-4-3-5-13/h11,13H,3-7H2,1-2H3
InChIKeyWEFICYWDFXXJLE-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.48
Rot. Bonds7

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxybutane-1-sulfonamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxybutane-1-sulfonamide (PubChem CID 79238653) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxybutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxybutane-1-sulfonamide
PubChem CID79238653
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxybutane-1-sulfonamide
SMILESCc1noc(C)c1CNS(=O)(=O)CCCCO
InChIInChI=1S/C10H18N2O4S/c1-8-10(9(2)16-12-8)7-11-17(14,15)6-4-3-5-13/h11,13H,3-7H2,1-2H3
InChIKeyWEFICYWDFXXJLE-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)propane-1-sulfonamide
CID 79238152
4-(cyclopropylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide
CID 79238581
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(methylsulfonimidoyl)methanamine
CID 164644358
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110731013
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypropane-1-sulfonamide
CID 106377949
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
CID 28833064
4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
CID 106377917
2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide
CID 79237854
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine
CID 60920492
4-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide
CID 114134767
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylbenzenesulfonamide
CID 79238145

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxybutane-1-sulfonamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxybutane-1-sulfonamide (CID 79238653) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxybutane-1-sulfonamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxybutane-1-sulfonamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxybutane-1-sulfonamide is Cc1noc(C)c1CNS(=O)(=O)CCCCO.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxybutane-1-sulfonamide?
The InChIKey is WEFICYWDFXXJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-8-10(9(2)16-12-8)7-11-17(14,15)6-4-3-5-13/h11,13H,3-7H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxybutane-1-sulfonamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxybutane-1-sulfonamide has a molecular weight of 262.33 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxybutane-1-sulfonamide is sourced from PubChem (CID 79238653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).