1-[(2-phenyl-1,3-oxazol-4-yl)methylsulfamoyl]piperidine-3-carboxylic acid

C16H19N3O5S — CID 131949814

IUPAC1-[(2-phenyl-1,3-oxazol-4-yl)methylsulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCc2coc(-c3ccccc3)n2)C1
InChIInChI=1S/C16H19N3O5S/c20-16(21)13-7-4-8-19(10-13)25(22,23)17-9-14-11-24-15(18-14)12-5-2-1-3-6-12/h1-3,5-6,11,13,17H,4,7-10H2,(H,20,21)
InChIKeyIHRLLJVKVLXSJD-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.47
Rot. Bonds6

About 1-[(2-phenyl-1,3-oxazol-4-yl)methylsulfamoyl]piperidine-3-carboxylic acid

1-[(2-phenyl-1,3-oxazol-4-yl)methylsulfamoyl]piperidine-3-carboxylic acid (PubChem CID 131949814) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-[(2-phenyl-1,3-oxazol-4-yl)methylsulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-phenyl-1,3-oxazol-4-yl)methylsulfamoyl]piperidine-3-carboxylic acid
PubChem CID131949814
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name1-[(2-phenyl-1,3-oxazol-4-yl)methylsulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCc2coc(-c3ccccc3)n2)C1
InChIInChI=1S/C16H19N3O5S/c20-16(21)13-7-4-8-19(10-13)25(22,23)17-9-14-11-24-15(18-14)12-5-2-1-3-6-12/h1-3,5-6,11,13,17H,4,7-10H2,(H,20,21)
InChIKeyIHRLLJVKVLXSJD-UHFFFAOYSA-N
XLogP1.47
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenyl-1,3-oxazol-4-yl)methylsulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-phenyl-1,3-oxazol-4-yl)methylsulfamoyl]piperidine-3-carboxylic acid (CID 131949814) is 1-[(2-phenyl-1,3-oxazol-4-yl)methylsulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-phenyl-1,3-oxazol-4-yl)methylsulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-phenyl-1,3-oxazol-4-yl)methylsulfamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)NCc2coc(-c3ccccc3)n2)C1.
What is the InChIKey of 1-[(2-phenyl-1,3-oxazol-4-yl)methylsulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is IHRLLJVKVLXSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c20-16(21)13-7-4-8-19(10-13)25(22,23)17-9-14-11-24-15(18-14)12-5-2-1-3-6-12/h1-3,5-6,11,13,17H,4,7-10H2,(H,20,21).
What are the key properties of 1-[(2-phenyl-1,3-oxazol-4-yl)methylsulfamoyl]piperidine-3-carboxylic acid?
1-[(2-phenyl-1,3-oxazol-4-yl)methylsulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 365.41 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenyl-1,3-oxazol-4-yl)methylsulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 131949814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).