ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate

C9H14N2O5S — CID 3237674

IUPACethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C9H14N2O5S/c1-4-15-8(12)5-10-17(13,14)9-6(2)11-16-7(9)3/h10H,4-5H2,1-3H3
InChIKeyOIBDCYXCISCGEE-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.13
Rot. Bonds5

About ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate

ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate (PubChem CID 3237674) has the molecular formula C9H14N2O5S and a molecular weight of 262.29 g/mol. Its IUPAC name is ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
PubChem CID3237674
Molecular FormulaC9H14N2O5S
Molecular Weight262.29 g/mol
Exact Mass262.06
IUPAC Nameethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C9H14N2O5S/c1-4-15-8(12)5-10-17(13,14)9-6(2)11-16-7(9)3/h10H,4-5H2,1-3H3
InChIKeyOIBDCYXCISCGEE-UHFFFAOYSA-N
XLogP0.13
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 4750113
2-(Dimethyl-1,2-oxazole-4-sulfonamido)acetic acid
CID 3243165
3,5-Dimethylisoxazole-4-sulfonamide
CID 4962303
4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine
CID 2805725
3,5-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1,2-oxazole-4-sulfonamide
CID 45891513
3,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1,2-oxazole-4-sulfonamide
CID 84241497
2-(Dimethyl-1,2-oxazole-4-sulfonamido)propanoic acid
CID 4750204
3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide
CID 6624547
N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide
CID 8467975
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]glycylglycine
CID 43386685
rel-(2R)-2-(3,5-dimethyl-1,2-oxazole-4-sulfonamido)propanoicacid
CID 40479774
N-cycloheptyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 6621710

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate (CID 3237674) is ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate?
The InChIKey is OIBDCYXCISCGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S/c1-4-15-8(12)5-10-17(13,14)9-6(2)11-16-7(9)3/h10H,4-5H2,1-3H3.
What are the key properties of ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate?
ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate has a molecular weight of 262.29 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate is sourced from PubChem (CID 3237674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).