2-[[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanoic acid

C16H14N4O5S — CID 67702705

IUPAC2-[[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1cccc(-c2noc(-c3ccncc3)n2)c1)C(=O)O
InChIInChI=1S/C16H14N4O5S/c1-10(16(21)22)20-26(23,24)13-4-2-3-12(9-13)14-18-15(25-19-14)11-5-7-17-8-6-11/h2-10,20H,1H3,(H,21,22)
InChIKeyGGLBOTFADJZECJ-UHFFFAOYSA-N
MW374.38 g/mol
LogP1.55
Rot. Bonds6

About 2-[[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanoic acid

2-[[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanoic acid (PubChem CID 67702705) has the molecular formula C16H14N4O5S and a molecular weight of 374.38 g/mol. Its IUPAC name is 2-[[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanoic acid
PubChem CID67702705
Molecular FormulaC16H14N4O5S
Molecular Weight374.38 g/mol
Exact Mass374.07
IUPAC Name2-[[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1cccc(-c2noc(-c3ccncc3)n2)c1)C(=O)O
InChIInChI=1S/C16H14N4O5S/c1-10(16(21)22)20-26(23,24)13-4-2-3-12(9-13)14-18-15(25-19-14)11-5-7-17-8-6-11/h2-10,20H,1H3,(H,21,22)
InChIKeyGGLBOTFADJZECJ-UHFFFAOYSA-N
XLogP1.55
TPSA135.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanoic acid with MolForge

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Related Compounds

3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 11357624
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CID 29049479
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
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2-(pyridin-3-ylsulfonylamino)propanoic acid
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3-[[3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]propanoic acid
CID 57201200
2-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]propanedioic acid
CID 171475871
N-[4-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide
CID 6492266
2-[[3-[3-(1H-benzimidazol-2-ylcarbamoylamino)phenyl]phenyl]sulfonylamino]propanoic acid
CID 22092672
(2S)-2-[(3-nitrophenyl)sulfonylamino]propanoic acid
CID 30080051
2-[(3-nitrophenyl)sulfonylamino]propanoic acid
CID 16785952
3-(3-methylsulfonylphenyl)-5-(1-propyl-5-pyridin-4-ylpyrazol-4-yl)-1,2,4-oxadiazole
CID 90897981

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanoic acid?
The IUPAC name of 2-[[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanoic acid (CID 67702705) is 2-[[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanoic acid?
The canonical SMILES for 2-[[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanoic acid is CC(NS(=O)(=O)c1cccc(-c2noc(-c3ccncc3)n2)c1)C(=O)O.
What is the InChIKey of 2-[[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanoic acid?
The InChIKey is GGLBOTFADJZECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5S/c1-10(16(21)22)20-26(23,24)13-4-2-3-12(9-13)14-18-15(25-19-14)11-5-7-17-8-6-11/h2-10,20H,1H3,(H,21,22).
What are the key properties of 2-[[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanoic acid?
2-[[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanoic acid has a molecular weight of 374.38 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanoic acid is sourced from PubChem (CID 67702705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).