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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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).