2-[2-benzyl-5-(3-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide

C23H20N2O3S — CID 67624965

IUPAC2-[2-benzyl-5-(3-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1cccc(-c2oc(Cc3ccccc3)nc2-c2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C23H20N2O3S/c1-16-8-7-11-18(14-16)23-22(19-12-5-6-13-20(19)29(24,26)27)25-21(28-23)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H2,24,26,27)
InChIKeyJJYJUHZPGFUYED-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.56
Rot. Bonds5

About 2-[2-benzyl-5-(3-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide

2-[2-benzyl-5-(3-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 67624965) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-[2-benzyl-5-(3-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-benzyl-5-(3-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID67624965
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC Name2-[2-benzyl-5-(3-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1cccc(-c2oc(Cc3ccccc3)nc2-c2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C23H20N2O3S/c1-16-8-7-11-18(14-16)23-22(19-12-5-6-13-20(19)29(24,26)27)25-21(28-23)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H2,24,26,27)
InChIKeyJJYJUHZPGFUYED-UHFFFAOYSA-N
XLogP4.56
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-benzyl-5-(3-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 2-[2-benzyl-5-(3-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide (CID 67624965) is 2-[2-benzyl-5-(3-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-benzyl-5-(3-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-benzyl-5-(3-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide is Cc1cccc(-c2oc(Cc3ccccc3)nc2-c2ccccc2S(N)(=O)=O)c1.
What is the InChIKey of 2-[2-benzyl-5-(3-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is JJYJUHZPGFUYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-16-8-7-11-18(14-16)23-22(19-12-5-6-13-20(19)29(24,26)27)25-21(28-23)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H2,24,26,27).
What are the key properties of 2-[2-benzyl-5-(3-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide?
2-[2-benzyl-5-(3-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-benzyl-5-(3-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 67624965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).