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

C12H13N3O5S — CID 107339792

IUPAC2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid
SMILESCc1cc(CS(=O)(=O)Nc2ccc(CC(=O)O)nc2)no1
InChIInChI=1S/C12H13N3O5S/c1-8-4-11(14-20-8)7-21(18,19)15-10-3-2-9(13-6-10)5-12(16)17/h2-4,6,15H,5,7H2,1H3,(H,16,17)
InChIKeyYPBHQNYXRANENK-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.95
Rot. Bonds6

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

2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid (PubChem CID 107339792) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid
PubChem CID107339792
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC Name2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid
SMILESCc1cc(CS(=O)(=O)Nc2ccc(CC(=O)O)nc2)no1
InChIInChI=1S/C12H13N3O5S/c1-8-4-11(14-20-8)7-21(18,19)15-10-3-2-9(13-6-10)5-12(16)17/h2-4,6,15H,5,7H2,1H3,(H,16,17)
InChIKeyYPBHQNYXRANENK-UHFFFAOYSA-N
XLogP0.95
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-bromo-3-pyridinyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 103895771
N-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 71906050
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid
CID 28787877
2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid
CID 107339875
N-(4-amino-3-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43604495
2-hydroxy-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]benzoic acid
CID 104833138
N-(5-amino-2-pyridinyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43144678
N-(4-amino-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43605050
2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid
CID 107339762
4-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]benzoic acid
CID 60828347
(2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid
CID 28788047
N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43258971

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid (CID 107339792) is 2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid is Cc1cc(CS(=O)(=O)Nc2ccc(CC(=O)O)nc2)no1.
What is the InChIKey of 2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid?
The InChIKey is YPBHQNYXRANENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5S/c1-8-4-11(14-20-8)7-21(18,19)15-10-3-2-9(13-6-10)5-12(16)17/h2-4,6,15H,5,7H2,1H3,(H,16,17).
What are the key properties of 2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid?
2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid has a molecular weight of 311.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).