3-[2-[(7-fluoro-1-benzofuran-4-yl)sulfonylamino]propan-2-yl]-1,2-oxazole-4-carboxylic acid

C15H13FN2O6S — CID 167931313

IUPAC3-[2-[(7-fluoro-1-benzofuran-4-yl)sulfonylamino]propan-2-yl]-1,2-oxazole-4-carboxylic acid
SMILESCC(C)(NS(=O)(=O)c1ccc(F)c2occc12)c1nocc1C(=O)O
InChIInChI=1S/C15H13FN2O6S/c1-15(2,13-9(14(19)20)7-24-17-13)18-25(21,22)11-4-3-10(16)12-8(11)5-6-23-12/h3-7,18H,1-2H3,(H,19,20)
InChIKeyYKEILYONUKPHOQ-UHFFFAOYSA-N
MW368.34 g/mol
LogP2.47
Rot. Bonds5

About 3-[2-[(7-fluoro-1-benzofuran-4-yl)sulfonylamino]propan-2-yl]-1,2-oxazole-4-carboxylic acid

3-[2-[(7-fluoro-1-benzofuran-4-yl)sulfonylamino]propan-2-yl]-1,2-oxazole-4-carboxylic acid (PubChem CID 167931313) has the molecular formula C15H13FN2O6S and a molecular weight of 368.34 g/mol. Its IUPAC name is 3-[2-[(7-fluoro-1-benzofuran-4-yl)sulfonylamino]propan-2-yl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[(7-fluoro-1-benzofuran-4-yl)sulfonylamino]propan-2-yl]-1,2-oxazole-4-carboxylic acid
PubChem CID167931313
Molecular FormulaC15H13FN2O6S
Molecular Weight368.34 g/mol
Exact Mass368.05
IUPAC Name3-[2-[(7-fluoro-1-benzofuran-4-yl)sulfonylamino]propan-2-yl]-1,2-oxazole-4-carboxylic acid
SMILESCC(C)(NS(=O)(=O)c1ccc(F)c2occc12)c1nocc1C(=O)O
InChIInChI=1S/C15H13FN2O6S/c1-15(2,13-9(14(19)20)7-24-17-13)18-25(21,22)11-4-3-10(16)12-8(11)5-6-23-12/h3-7,18H,1-2H3,(H,19,20)
InChIKeyYKEILYONUKPHOQ-UHFFFAOYSA-N
XLogP2.47
TPSA122.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-[(7-fluoro-1-benzofuran-4-yl)sulfonylamino]propan-2-yl]-1,2-oxazole-4-carboxylic acid with MolForge

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Related Compounds

3-(1,1-difluoroethyl)-1,2-oxazole-4-carboxylic acid
CID 154984070
2-cyclopropyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanoic acid
CID 43361659
4-fluoro-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid
CID 30056496
2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 116527334
3-(dimethylaminosulfamoyl)-4-fluorobenzoic acid
CID 83005612
2-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-3-methylbenzoic acid
CID 167742201
3-fluoro-4-(1,2-oxazol-4-ylsulfamoyl)benzoic acid
CID 79040867
2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-cyclopropylpropanoic acid
CID 116527308
2-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpropanoic acid
CID 58198538
N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863
4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid
CID 43399440
4-fluoro-3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]benzoic acid
CID 81390367

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(7-fluoro-1-benzofuran-4-yl)sulfonylamino]propan-2-yl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-[2-[(7-fluoro-1-benzofuran-4-yl)sulfonylamino]propan-2-yl]-1,2-oxazole-4-carboxylic acid (CID 167931313) is 3-[2-[(7-fluoro-1-benzofuran-4-yl)sulfonylamino]propan-2-yl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-[2-[(7-fluoro-1-benzofuran-4-yl)sulfonylamino]propan-2-yl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-[2-[(7-fluoro-1-benzofuran-4-yl)sulfonylamino]propan-2-yl]-1,2-oxazole-4-carboxylic acid is CC(C)(NS(=O)(=O)c1ccc(F)c2occc12)c1nocc1C(=O)O.
What is the InChIKey of 3-[2-[(7-fluoro-1-benzofuran-4-yl)sulfonylamino]propan-2-yl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is YKEILYONUKPHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O6S/c1-15(2,13-9(14(19)20)7-24-17-13)18-25(21,22)11-4-3-10(16)12-8(11)5-6-23-12/h3-7,18H,1-2H3,(H,19,20).
What are the key properties of 3-[2-[(7-fluoro-1-benzofuran-4-yl)sulfonylamino]propan-2-yl]-1,2-oxazole-4-carboxylic acid?
3-[2-[(7-fluoro-1-benzofuran-4-yl)sulfonylamino]propan-2-yl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 368.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(7-fluoro-1-benzofuran-4-yl)sulfonylamino]propan-2-yl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 167931313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).