methyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate

C9H14N2O5S — CID 79477880

IUPACmethyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCc1ccon1
InChIInChI=1S/C9H14N2O5S/c1-15-9(12)3-2-6-17(13,14)10-7-8-4-5-16-11-8/h4-5,10H,2-3,6-7H2,1H3
InChIKeyRIZQVJAFFUUNFL-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.05
Rot. Bonds7

About methyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate

methyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate (PubChem CID 79477880) has the molecular formula C9H14N2O5S and a molecular weight of 262.29 g/mol. Its IUPAC name is methyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate
PubChem CID79477880
Molecular FormulaC9H14N2O5S
Molecular Weight262.29 g/mol
Exact Mass262.06
IUPAC Namemethyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCc1ccon1
InChIInChI=1S/C9H14N2O5S/c1-15-9(12)3-2-6-17(13,14)10-7-8-4-5-16-11-8/h4-5,10H,2-3,6-7H2,1H3
InChIKeyRIZQVJAFFUUNFL-UHFFFAOYSA-N
XLogP0.05
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide
CID 81178467
methyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate
CID 79481288
methyl 4-[(4-bromophenyl)methylsulfamoyl]butanoate
CID 61457335
methyl 4-[(2-bromophenyl)methylsulfamoyl]butanoate
CID 61457372
methyl 4-[(4-methyl-3-pyridinyl)methylsulfamoyl]butanoate
CID 114954662
methyl 4-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]butanoate
CID 63311717
methyl 4-[(4,5-dimethylthiophen-2-yl)methylsulfamoyl]butanoate
CID 65246530
methyl 4-(1H-benzimidazol-2-ylmethylsulfamoyl)butanoate
CID 78991617
methyl 4-(2-pyridin-4-ylethylsulfamoyl)butanoate
CID 61460662
methyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate
CID 61460319
methyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate
CID 104626602
methyl 4-[(3-cyanophenyl)methylsulfamoyl]butanoate
CID 61460202

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate (CID 79477880) is methyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate is COC(=O)CCCS(=O)(=O)NCc1ccon1.
What is the InChIKey of methyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate?
The InChIKey is RIZQVJAFFUUNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S/c1-15-9(12)3-2-6-17(13,14)10-7-8-4-5-16-11-8/h4-5,10H,2-3,6-7H2,1H3.
What are the key properties of methyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate?
methyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate has a molecular weight of 262.29 g/mol, XLogP of 0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate is sourced from PubChem (CID 79477880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).