4-(5-(4-(dimethylamino)phenyl)oxazol-2-yl)benzenesulfonate | SBID = 439 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 27
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C17H15N2O4S-
M / g/mol: 343.38
Complexity:
Number of Conformers:

Identifiers

  • Tags: dye, typical guest, charged, anion, aromatic
  • Name: 4-(5-(4-(dimethylamino)phenyl)oxazol-2-yl)benzenesulfonate
  • Preferred Abbreviation: Dapoxyl
  • IUPAC Name: 4-(5-(4-(dimethylamino)phenyl)oxazol-2-yl)benzenesulfonate
  • CAS:
  • CID: -86
  • InChiKey: ZMPMRZFDVRINCB-UHFFFAOYSA-M
  • InChi: InChI=1S/C17H16N2O4S/c1-19(2)14-7-3-12(4-8-14)16-11-18-17(23-16)13-5-9-15(10-6-13)24(20,21)22/h3-11H,1-2H3,(H,20,21,22)/p-1
  • CanoSmiles: CN(C)C(C=C1)=CC=C1C2=CN=C(C3=CC=C(S(=O)([O-])=O)C=C3)O2
  • IsoSmiles: O=S(C1=CC=C(C2=NC=C(C3=CC=C(N(C)C)C=C3)O2)C=C1)([O-])=O