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

C18H18N2O4S — CID 139808290

IUPAC4-[2-(2-hydroxypropan-2-yl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCC(C)(O)c1nc(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C18H18N2O4S/c1-18(2,21)17-20-15(12-6-4-3-5-7-12)16(24-17)13-8-10-14(11-9-13)25(19,22)23/h3-11,21H,1-2H3,(H2,19,22,23)
InChIKeyHOGUVDOFYHWVMC-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.88
Rot. Bonds4

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

4-[2-(2-hydroxypropan-2-yl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 139808290) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-[2-(2-hydroxypropan-2-yl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-hydroxypropan-2-yl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID139808290
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name4-[2-(2-hydroxypropan-2-yl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCC(C)(O)c1nc(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C18H18N2O4S/c1-18(2,21)17-20-15(12-6-4-3-5-7-12)16(24-17)13-8-10-14(11-9-13)25(19,22)23/h3-11,21H,1-2H3,(H2,19,22,23)
InChIKeyHOGUVDOFYHWVMC-UHFFFAOYSA-N
XLogP2.88
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(3-chlorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-4-yl]benzenesulfonamide
CID 139808271
4-(2-methoxy-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 18701519
4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide
CID 18701527
[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methylphosphonic acid
CID 67772131
methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate
CID 11948196
4-[4-phenyl-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701848
4-(2-chloro-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide;2-[[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]oxy]benzoic acid
CID 67771829
4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide
CID 19698542
2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole
CID 10041271
4-[2-[(2-chlorophenoxy)methyl]-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide
CID 18701887
4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701480
(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 40812838

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxypropan-2-yl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(2-hydroxypropan-2-yl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide (CID 139808290) is 4-[2-(2-hydroxypropan-2-yl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(2-hydroxypropan-2-yl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(2-hydroxypropan-2-yl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide is CC(C)(O)c1nc(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)o1.
What is the InChIKey of 4-[2-(2-hydroxypropan-2-yl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is HOGUVDOFYHWVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-18(2,21)17-20-15(12-6-4-3-5-7-12)16(24-17)13-8-10-14(11-9-13)25(19,22)23/h3-11,21H,1-2H3,(H2,19,22,23).
What are the key properties of 4-[2-(2-hydroxypropan-2-yl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide?
4-[2-(2-hydroxypropan-2-yl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxypropan-2-yl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 139808290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).