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

C9H16N2O4S — CID 106377917

IUPAC4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)CCCCO)o1
InChIInChI=1S/C9H16N2O4S/c1-8-6-10-9(15-8)7-11-16(13,14)5-3-2-4-12/h6,11-12H,2-5,7H2,1H3
InChIKeyLQTFFWXUALNNGQ-UHFFFAOYSA-N
MW248.30 g/mol
LogP0.17
Rot. Bonds7

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

4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide (PubChem CID 106377917) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
PubChem CID106377917
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)CCCCO)o1
InChIInChI=1S/C9H16N2O4S/c1-8-6-10-9(15-8)7-11-16(13,14)5-3-2-4-12/h6,11-12H,2-5,7H2,1H3
InChIKeyLQTFFWXUALNNGQ-UHFFFAOYSA-N
XLogP0.17
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 50.17
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-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
CID 110660420
3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide
CID 106378118
N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 110660417
4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid
CID 106370360
4-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide
CID 114134767
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol
CID 106371738
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypropane-1-sulfonamide
CID 106377949
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxybutane-1-sulfonamide
CID 79238653
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106378029
1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 103830213
4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 110660491
2-(ethylsulfonylmethyl)-5-methyl-1,3-oxazole
CID 117187900

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide (CID 106377917) is 4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide is Cc1cnc(CNS(=O)(=O)CCCCO)o1.
What is the InChIKey of 4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide?
The InChIKey is LQTFFWXUALNNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-8-6-10-9(15-8)7-11-16(13,14)5-3-2-4-12/h6,11-12H,2-5,7H2,1H3.
What are the key properties of 4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide?
4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide has a molecular weight of 248.30 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 106377917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).