2-[2-(ethylsulfamoyl)ethylamino]-1,3-oxazole-4-carboxylic acid

C8H13N3O5S — CID 106339929

IUPAC2-[2-(ethylsulfamoyl)ethylamino]-1,3-oxazole-4-carboxylic acid
SMILESCCNS(=O)(=O)CCNc1nc(C(=O)O)co1
InChIInChI=1S/C8H13N3O5S/c1-2-10-17(14,15)4-3-9-8-11-6(5-16-8)7(12)13/h5,10H,2-4H2,1H3,(H,9,11)(H,12,13)
InChIKeyASNYSBHYOZXEQV-UHFFFAOYSA-N
MW263.27 g/mol
LogP-0.28
Rot. Bonds7

About 2-[2-(ethylsulfamoyl)ethylamino]-1,3-oxazole-4-carboxylic acid

2-[2-(ethylsulfamoyl)ethylamino]-1,3-oxazole-4-carboxylic acid (PubChem CID 106339929) has the molecular formula C8H13N3O5S and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-[2-(ethylsulfamoyl)ethylamino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(ethylsulfamoyl)ethylamino]-1,3-oxazole-4-carboxylic acid
PubChem CID106339929
Molecular FormulaC8H13N3O5S
Molecular Weight263.27 g/mol
Exact Mass263.06
IUPAC Name2-[2-(ethylsulfamoyl)ethylamino]-1,3-oxazole-4-carboxylic acid
SMILESCCNS(=O)(=O)CCNc1nc(C(=O)O)co1
InChIInChI=1S/C8H13N3O5S/c1-2-10-17(14,15)4-3-9-8-11-6(5-16-8)7(12)13/h5,10H,2-4H2,1H3,(H,9,11)(H,12,13)
InChIKeyASNYSBHYOZXEQV-UHFFFAOYSA-N
XLogP-0.28
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(methanesulfonamido)propylamino]-1,3-oxazole-4-carboxylic acid
CID 106339812
6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid
CID 106339900
2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid
CID 166178227
6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid
CID 106339913
2-(7-methyloctylamino)-1,3-oxazole-4-carboxylic acid
CID 107815533
3-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 106342809
3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 106342812
2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-oxazole-4-carboxylic acid
CID 106035152
2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 114176009
3-chloro-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 106342805
2-amino-2-[2-[2-(ethylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106343023
2-bromo-4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzoic acid
CID 106342808

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylsulfamoyl)ethylamino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[2-(ethylsulfamoyl)ethylamino]-1,3-oxazole-4-carboxylic acid (CID 106339929) is 2-[2-(ethylsulfamoyl)ethylamino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(ethylsulfamoyl)ethylamino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(ethylsulfamoyl)ethylamino]-1,3-oxazole-4-carboxylic acid is CCNS(=O)(=O)CCNc1nc(C(=O)O)co1.
What is the InChIKey of 2-[2-(ethylsulfamoyl)ethylamino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is ASNYSBHYOZXEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S/c1-2-10-17(14,15)4-3-9-8-11-6(5-16-8)7(12)13/h5,10H,2-4H2,1H3,(H,9,11)(H,12,13).
What are the key properties of 2-[2-(ethylsulfamoyl)ethylamino]-1,3-oxazole-4-carboxylic acid?
2-[2-(ethylsulfamoyl)ethylamino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 263.27 g/mol, XLogP of -0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylsulfamoyl)ethylamino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 106339929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).