methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate

C8H12N2O5S — CID 43624220

IUPACmethyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)Cc1cc(C)on1
InChIInChI=1S/C8H12N2O5S/c1-6-3-7(10-15-6)5-16(12,13)9-4-8(11)14-2/h3,9H,4-5H2,1-2H3
InChIKeyOVAWMNIUWUNOHR-UHFFFAOYSA-N
MW248.26 g/mol
LogP-0.42
Rot. Bonds5

About methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate

methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate (PubChem CID 43624220) has the molecular formula C8H12N2O5S and a molecular weight of 248.26 g/mol. Its IUPAC name is methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate
PubChem CID43624220
Molecular FormulaC8H12N2O5S
Molecular Weight248.26 g/mol
Exact Mass248.05
IUPAC Namemethyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)Cc1cc(C)on1
InChIInChI=1S/C8H12N2O5S/c1-6-3-7(10-15-6)5-16(12,13)9-4-8(11)14-2/h3,9H,4-5H2,1-2H3
InChIKeyOVAWMNIUWUNOHR-UHFFFAOYSA-N
XLogP-0.42
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid
CID 28787877
N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43258971
N-(3-hydroxy-4-methoxybutyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 103875953
N-(2-methoxyethoxy)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 82714251
N-(2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43502409
N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43133689
N-(6-hydroxyhexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 103918339
(2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid
CID 28788047
N-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]ethyl]cyclopropanecarboxamide
CID 115633596
1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide
CID 55101025
N-[(2R)-1-hydroxypropan-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 64722552
(2S,3S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]pentanoic acid
CID 28788093

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate?
The IUPAC name of methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate (CID 43624220) is methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate?
The canonical SMILES for methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate is COC(=O)CNS(=O)(=O)Cc1cc(C)on1.
What is the InChIKey of methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate?
The InChIKey is OVAWMNIUWUNOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5S/c1-6-3-7(10-15-6)5-16(12,13)9-4-8(11)14-2/h3,9H,4-5H2,1-2H3.
What are the key properties of methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate?
methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate has a molecular weight of 248.26 g/mol, XLogP of -0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate is sourced from PubChem (CID 43624220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).