(5-phenyl-1,3-oxazol-2-yl)methyl 5-sulfamoylfuran-2-carboxylate

C15H12N2O6S — CID 47028405

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 5-sulfamoylfuran-2-carboxylate
SMILESNS(=O)(=O)c1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)o1
InChIInChI=1S/C15H12N2O6S/c16-24(19,20)14-7-6-11(23-14)15(18)21-9-13-17-8-12(22-13)10-4-2-1-3-5-10/h1-8H,9H2,(H2,16,19,20)
InChIKeySJTIXODBGZRVHU-UHFFFAOYSA-N
MW348.34 g/mol
LogP1.94
Rot. Bonds5

About (5-phenyl-1,3-oxazol-2-yl)methyl 5-sulfamoylfuran-2-carboxylate

(5-phenyl-1,3-oxazol-2-yl)methyl 5-sulfamoylfuran-2-carboxylate (PubChem CID 47028405) has the molecular formula C15H12N2O6S and a molecular weight of 348.34 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 5-sulfamoylfuran-2-carboxylate
PubChem CID47028405
Molecular FormulaC15H12N2O6S
Molecular Weight348.34 g/mol
Exact Mass348.04
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 5-sulfamoylfuran-2-carboxylate
SMILESNS(=O)(=O)c1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)o1
InChIInChI=1S/C15H12N2O6S/c16-24(19,20)14-7-6-11(23-14)15(18)21-9-13-17-8-12(22-13)10-4-2-1-3-5-10/h1-8H,9H2,(H2,16,19,20)
InChIKeySJTIXODBGZRVHU-UHFFFAOYSA-N
XLogP1.94
TPSA125.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl 5-nitrofuran-2-carboxylate
CID 9454937
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-sulfamoylfuran-2-carboxylate
CID 55644091
(5-phenyl-1,3-oxazol-2-yl)methyl 3-iodobenzoate
CID 8011127
(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
CID 7790163
(5-phenyl-1,3-oxazol-2-yl)methyl (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454592
(5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate
CID 8968981
(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8861226
(5-phenyl-1,3-oxazol-2-yl)methyl 3,5-dichloro-4-methoxybenzoate
CID 9125999
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514820
(5-phenyl-1,3-oxazol-2-yl)methyl 2-nitrobenzoate
CID 9454725
(5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate
CID 16521994
(5-phenyl-1,3-oxazol-2-yl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16500406

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 5-sulfamoylfuran-2-carboxylate (CID 47028405) is (5-phenyl-1,3-oxazol-2-yl)methyl 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 5-sulfamoylfuran-2-carboxylate is NS(=O)(=O)c1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)o1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 5-sulfamoylfuran-2-carboxylate?
The InChIKey is SJTIXODBGZRVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O6S/c16-24(19,20)14-7-6-11(23-14)15(18)21-9-13-17-8-12(22-13)10-4-2-1-3-5-10/h1-8H,9H2,(H2,16,19,20).
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 5-sulfamoylfuran-2-carboxylate?
(5-phenyl-1,3-oxazol-2-yl)methyl 5-sulfamoylfuran-2-carboxylate has a molecular weight of 348.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 47028405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).