[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methylphosphonic acid

C16H15N2O6PS — CID 67772131

IUPAC[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methylphosphonic acid
SMILESNS(=O)(=O)c1ccc(-c2oc(CP(=O)(O)O)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H15N2O6PS/c17-26(22,23)13-8-6-12(7-9-13)16-15(11-4-2-1-3-5-11)18-14(24-16)10-25(19,20)21/h1-9H,10H2,(H2,17,22,23)(H2,19,20,21)
InChIKeyIOSACDQOGGMXFM-UHFFFAOYSA-N
MW394.35 g/mol
LogP2.33
Rot. Bonds5

About [4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methylphosphonic acid

[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methylphosphonic acid (PubChem CID 67772131) has the molecular formula C16H15N2O6PS and a molecular weight of 394.35 g/mol. Its IUPAC name is [4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methylphosphonic acid.

Molecular Properties

Compound Name[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methylphosphonic acid
PubChem CID67772131
Molecular FormulaC16H15N2O6PS
Molecular Weight394.35 g/mol
Exact Mass394.04
IUPAC Name[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methylphosphonic acid
SMILESNS(=O)(=O)c1ccc(-c2oc(CP(=O)(O)O)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H15N2O6PS/c17-26(22,23)13-8-6-12(7-9-13)16-15(11-4-2-1-3-5-11)18-14(24-16)10-25(19,20)21/h1-9H,10H2,(H2,17,22,23)(H2,19,20,21)
InChIKeyIOSACDQOGGMXFM-UHFFFAOYSA-N
XLogP2.33
TPSA143.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide
CID 18701527
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-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methylphosphonic acid?
The IUPAC name of [4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methylphosphonic acid (CID 67772131) is [4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methylphosphonic acid.
What is the SMILES notation for [4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methylphosphonic acid?
The canonical SMILES for [4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methylphosphonic acid is NS(=O)(=O)c1ccc(-c2oc(CP(=O)(O)O)nc2-c2ccccc2)cc1.
What is the InChIKey of [4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methylphosphonic acid?
The InChIKey is IOSACDQOGGMXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N2O6PS/c17-26(22,23)13-8-6-12(7-9-13)16-15(11-4-2-1-3-5-11)18-14(24-16)10-25(19,20)21/h1-9H,10H2,(H2,17,22,23)(H2,19,20,21).
What are the key properties of [4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methylphosphonic acid?
[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methylphosphonic acid has a molecular weight of 394.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methylphosphonic acid is sourced from PubChem (CID 67772131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).