methyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate

C15H11FN2O5S2 — CID 46341377

IUPACmethyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)s2)on1
InChIInChI=1S/C15H11FN2O5S2/c1-22-15(19)11-8-12(23-17-11)13-6-7-14(24-13)25(20,21)18-10-4-2-9(16)3-5-10/h2-8,18H,1H3
InChIKeyNFASJFYVGMNYCR-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.13
Rot. Bonds5

About methyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate

methyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate (PubChem CID 46341377) has the molecular formula C15H11FN2O5S2 and a molecular weight of 382.39 g/mol. Its IUPAC name is methyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
PubChem CID46341377
Molecular FormulaC15H11FN2O5S2
Molecular Weight382.39 g/mol
Exact Mass382.01
IUPAC Namemethyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)s2)on1
InChIInChI=1S/C15H11FN2O5S2/c1-22-15(19)11-8-12(23-17-11)13-6-7-14(24-13)25(20,21)18-10-4-2-9(16)3-5-10/h2-8,18H,1H3
InChIKeyNFASJFYVGMNYCR-UHFFFAOYSA-N
XLogP3.13
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[5-[(2,4-difluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341372
methyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341364
methyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341371
ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950037
N-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936180
N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936257
methyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950124
ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
CID 20936192
ethyl 5-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950073
ethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 92708484
ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950077
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide
CID 53102984

Frequently Asked Questions

What is the IUPAC name of methyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate (CID 46341377) is methyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate is COC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)s2)on1.
What is the InChIKey of methyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The InChIKey is NFASJFYVGMNYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O5S2/c1-22-15(19)11-8-12(23-17-11)13-6-7-14(24-13)25(20,21)18-10-4-2-9(16)3-5-10/h2-8,18H,1H3.
What are the key properties of methyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
methyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 382.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 46341377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).