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

C19H20N2O3S — CID 67613413

IUPAC2-[3-(2-methylpropyl)-4-phenyl-1,2-oxazol-5-yl]benzenesulfonamide
SMILESCC(C)Cc1noc(-c2ccccc2S(N)(=O)=O)c1-c1ccccc1
InChIInChI=1S/C19H20N2O3S/c1-13(2)12-16-18(14-8-4-3-5-9-14)19(24-21-16)15-10-6-7-11-17(15)25(20,22)23/h3-11,13H,12H2,1-2H3,(H2,20,22,23)
InChIKeyZDCHDQSSVQDCQZ-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.85
Rot. Bonds5

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

2-[3-(2-methylpropyl)-4-phenyl-1,2-oxazol-5-yl]benzenesulfonamide (PubChem CID 67613413) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)-4-phenyl-1,2-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)-4-phenyl-1,2-oxazol-5-yl]benzenesulfonamide
PubChem CID67613413
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name2-[3-(2-methylpropyl)-4-phenyl-1,2-oxazol-5-yl]benzenesulfonamide
SMILESCC(C)Cc1noc(-c2ccccc2S(N)(=O)=O)c1-c1ccccc1
InChIInChI=1S/C19H20N2O3S/c1-13(2)12-16-18(14-8-4-3-5-9-14)19(24-21-16)15-10-6-7-11-17(15)25(20,22)23/h3-11,13H,12H2,1-2H3,(H2,20,22,23)
InChIKeyZDCHDQSSVQDCQZ-UHFFFAOYSA-N
XLogP3.85
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)-4-phenyl-1,2-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[3-(2-methylpropyl)-4-phenyl-1,2-oxazol-5-yl]benzenesulfonamide (CID 67613413) is 2-[3-(2-methylpropyl)-4-phenyl-1,2-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[3-(2-methylpropyl)-4-phenyl-1,2-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[3-(2-methylpropyl)-4-phenyl-1,2-oxazol-5-yl]benzenesulfonamide is CC(C)Cc1noc(-c2ccccc2S(N)(=O)=O)c1-c1ccccc1.
What is the InChIKey of 2-[3-(2-methylpropyl)-4-phenyl-1,2-oxazol-5-yl]benzenesulfonamide?
The InChIKey is ZDCHDQSSVQDCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13(2)12-16-18(14-8-4-3-5-9-14)19(24-21-16)15-10-6-7-11-17(15)25(20,22)23/h3-11,13H,12H2,1-2H3,(H2,20,22,23).
What are the key properties of 2-[3-(2-methylpropyl)-4-phenyl-1,2-oxazol-5-yl]benzenesulfonamide?
2-[3-(2-methylpropyl)-4-phenyl-1,2-oxazol-5-yl]benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)-4-phenyl-1,2-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67613413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).