methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpropanoate

C10H16N2O5S — CID 56811868

IUPACmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C10H16N2O5S/c1-6-8(7(2)17-11-6)18(14,15)12-10(3,4)9(13)16-5/h12H,1-5H3
InChIKeyZXMGYDUEKWTVRT-UHFFFAOYSA-N
MW276.31 g/mol
LogP0.52
Rot. Bonds4

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

methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpropanoate (PubChem CID 56811868) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpropanoate
PubChem CID56811868
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Namemethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C10H16N2O5S/c1-6-8(7(2)17-11-6)18(14,15)12-10(3,4)9(13)16-5/h12H,1-5H3
InChIKeyZXMGYDUEKWTVRT-UHFFFAOYSA-N
XLogP0.52
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpropanoate (CID 56811868) is methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpropanoate is COC(=O)C(C)(C)NS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpropanoate?
The InChIKey is ZXMGYDUEKWTVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S/c1-6-8(7(2)17-11-6)18(14,15)12-10(3,4)9(13)16-5/h12H,1-5H3.
What are the key properties of methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpropanoate?
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpropanoate has a molecular weight of 276.31 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpropanoate is sourced from PubChem (CID 56811868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).