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

C7H10N2O5S — CID 28787877

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid
SMILESCc1cc(CS(=O)(=O)NCC(=O)O)no1
InChIInChI=1S/C7H10N2O5S/c1-5-2-6(9-14-5)4-15(12,13)8-3-7(10)11/h2,8H,3-4H2,1H3,(H,10,11)
InChIKeySPJRGRAMFXJJBC-UHFFFAOYSA-N
MW234.23 g/mol
LogP-0.51
Rot. Bonds5

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

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid (PubChem CID 28787877) has the molecular formula C7H10N2O5S and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid
PubChem CID28787877
Molecular FormulaC7H10N2O5S
Molecular Weight234.23 g/mol
Exact Mass234.03
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid
SMILESCc1cc(CS(=O)(=O)NCC(=O)O)no1
InChIInChI=1S/C7H10N2O5S/c1-5-2-6(9-14-5)4-15(12,13)8-3-7(10)11/h2,8H,3-4H2,1H3,(H,10,11)
InChIKeySPJRGRAMFXJJBC-UHFFFAOYSA-N
XLogP-0.51
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate
CID 43624220
N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43258971
(2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid
CID 28788047
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
2-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]cyclohexyl]acetic acid
CID 64700765
N-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]ethyl]cyclopropanecarboxamide
CID 115633596
N-[(2R)-1-hydroxypropan-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 64722552
1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide
CID 55101025
2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid
CID 107339792
N-(3-hydroxy-4-methoxybutyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 103875953

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid (CID 28787877) is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid is Cc1cc(CS(=O)(=O)NCC(=O)O)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid?
The InChIKey is SPJRGRAMFXJJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5S/c1-5-2-6(9-14-5)4-15(12,13)8-3-7(10)11/h2,8H,3-4H2,1H3,(H,10,11).
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid?
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid has a molecular weight of 234.23 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid is sourced from PubChem (CID 28787877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).