4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide

C16H14N2O4S — CID 18701527

IUPAC4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(CO)oc2-c2ccccc2)cc1
InChIInChI=1S/C16H14N2O4S/c17-23(20,21)13-8-6-11(7-9-13)15-16(22-14(10-19)18-15)12-4-2-1-3-5-12/h1-9,19H,10H2,(H2,17,20,21)
InChIKeyQQQFFXASJUNUPB-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.15
Rot. Bonds4

About 4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide

4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 18701527) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID18701527
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(CO)oc2-c2ccccc2)cc1
InChIInChI=1S/C16H14N2O4S/c17-23(20,21)13-8-6-11(7-9-13)15-16(22-14(10-19)18-15)12-4-2-1-3-5-12/h1-9,19H,10H2,(H2,17,20,21)
InChIKeyQQQFFXASJUNUPB-UHFFFAOYSA-N
XLogP2.15
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methylphosphonic acid
CID 67772131
4-[4-phenyl-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701848
methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate
CID 11948196
4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701480
4-[2-[(2-chlorophenoxy)methyl]-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide
CID 18701887
4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701723
4-[2-(2-hydroxypropan-2-yl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 139808290
2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid
CID 11949254
4-(2-methoxy-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 18701519
2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxyacetamide
CID 22505621
4-[2-ethyl-4-(3-fluorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 67621648
4-[2-benzyl-5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]benzenesulfonamide
CID 18701883

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide (CID 18701527) is 4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nc(CO)oc2-c2ccccc2)cc1.
What is the InChIKey of 4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is QQQFFXASJUNUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c17-23(20,21)13-8-6-11(7-9-13)15-16(22-14(10-19)18-15)12-4-2-1-3-5-12/h1-9,19H,10H2,(H2,17,20,21).
What are the key properties of 4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide?
4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 18701527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).