[3-(4-sulfamoylphenyl)phenyl] 1,3-oxazole-2-carboxylate

C16H12N2O5S — CID 18701817

IUPAC[3-(4-sulfamoylphenyl)phenyl] 1,3-oxazole-2-carboxylate
SMILESNS(=O)(=O)c1ccc(-c2cccc(OC(=O)c3ncco3)c2)cc1
InChIInChI=1S/C16H12N2O5S/c17-24(20,21)14-6-4-11(5-7-14)12-2-1-3-13(10-12)23-16(19)15-18-8-9-22-15/h1-10H,(H2,17,20,21)
InChIKeyCFQSOIXAUOHOLF-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.21
Rot. Bonds4

About [3-(4-sulfamoylphenyl)phenyl] 1,3-oxazole-2-carboxylate

[3-(4-sulfamoylphenyl)phenyl] 1,3-oxazole-2-carboxylate (PubChem CID 18701817) has the molecular formula C16H12N2O5S and a molecular weight of 344.35 g/mol. Its IUPAC name is [3-(4-sulfamoylphenyl)phenyl] 1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Name[3-(4-sulfamoylphenyl)phenyl] 1,3-oxazole-2-carboxylate
PubChem CID18701817
Molecular FormulaC16H12N2O5S
Molecular Weight344.35 g/mol
Exact Mass344.05
IUPAC Name[3-(4-sulfamoylphenyl)phenyl] 1,3-oxazole-2-carboxylate
SMILESNS(=O)(=O)c1ccc(-c2cccc(OC(=O)c3ncco3)c2)cc1
InChIInChI=1S/C16H12N2O5S/c17-24(20,21)14-6-4-11(5-7-14)12-2-1-3-13(10-12)23-16(19)15-18-8-9-22-15/h1-10H,(H2,17,20,21)
InChIKeyCFQSOIXAUOHOLF-UHFFFAOYSA-N
XLogP2.21
TPSA112.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-(4-methylsulfonylphenyl)phenyl] 1,3-oxazole-2-carboxylate
CID 18701468
4-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 57313215
4-[2-(3-nitrophenoxy)ethoxy]benzenesulfonamide
CID 32706977
ethyl 1,3-oxazole-2-carboxylate
CID 18465927
(3-sulfamoylphenyl) cyclopropanecarboxylate
CID 175230114
4-[2-(3-ethoxyphenyl)cyclopenten-1-yl]benzenesulfonamide
CID 67744521
4-[2-(3-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide
CID 22917379
methyl 4-(4-sulfamoylphenyl)benzoate
CID 122194771
2-fluoro-5-(4-sulfamoylphenyl)benzoic acid
CID 110453860
[4-[3-[4-(4-dodecoxyphenyl)benzoyl]oxyphenyl]phenyl] 4-(4-dodecoxyphenyl)benzoate
CID 102441735
(3-nitrophenyl) 4-(difluoromethylsulfonyl)benzoate
CID 8881114
(3-nitrophenyl) pyridine-3-carboxylate;hydrochloride
CID 158035461

Frequently Asked Questions

What is the IUPAC name of [3-(4-sulfamoylphenyl)phenyl] 1,3-oxazole-2-carboxylate?
The IUPAC name of [3-(4-sulfamoylphenyl)phenyl] 1,3-oxazole-2-carboxylate (CID 18701817) is [3-(4-sulfamoylphenyl)phenyl] 1,3-oxazole-2-carboxylate.
What is the SMILES notation for [3-(4-sulfamoylphenyl)phenyl] 1,3-oxazole-2-carboxylate?
The canonical SMILES for [3-(4-sulfamoylphenyl)phenyl] 1,3-oxazole-2-carboxylate is NS(=O)(=O)c1ccc(-c2cccc(OC(=O)c3ncco3)c2)cc1.
What is the InChIKey of [3-(4-sulfamoylphenyl)phenyl] 1,3-oxazole-2-carboxylate?
The InChIKey is CFQSOIXAUOHOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5S/c17-24(20,21)14-6-4-11(5-7-14)12-2-1-3-13(10-12)23-16(19)15-18-8-9-22-15/h1-10H,(H2,17,20,21).
What are the key properties of [3-(4-sulfamoylphenyl)phenyl] 1,3-oxazole-2-carboxylate?
[3-(4-sulfamoylphenyl)phenyl] 1,3-oxazole-2-carboxylate has a molecular weight of 344.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-sulfamoylphenyl)phenyl] 1,3-oxazole-2-carboxylate is sourced from PubChem (CID 18701817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).