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

C23H19FN2O3S — CID 18701854

IUPAC4-[2-benzyl-4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCc1cc(-c2nc(Cc3ccccc3)oc2-c2ccc(S(N)(=O)=O)cc2)ccc1F
InChIInChI=1S/C23H19FN2O3S/c1-15-13-18(9-12-20(15)24)22-23(17-7-10-19(11-8-17)30(25,27)28)29-21(26-22)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H2,25,27,28)
InChIKeyQSHAMLLJARUCHD-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.69
Rot. Bonds5

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

4-[2-benzyl-4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 18701854) has the molecular formula C23H19FN2O3S and a molecular weight of 422.48 g/mol. Its IUPAC name is 4-[2-benzyl-4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-benzyl-4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID18701854
Molecular FormulaC23H19FN2O3S
Molecular Weight422.48 g/mol
Exact Mass422.11
IUPAC Name4-[2-benzyl-4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCc1cc(-c2nc(Cc3ccccc3)oc2-c2ccc(S(N)(=O)=O)cc2)ccc1F
InChIInChI=1S/C23H19FN2O3S/c1-15-13-18(9-12-20(15)24)22-23(17-7-10-19(11-8-17)30(25,27)28)29-21(26-22)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H2,25,27,28)
InChIKeyQSHAMLLJARUCHD-UHFFFAOYSA-N
XLogP4.69
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-benzyl-4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[2-benzyl-4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide (CID 18701854) is 4-[2-benzyl-4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-benzyl-4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-benzyl-4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide is Cc1cc(-c2nc(Cc3ccccc3)oc2-c2ccc(S(N)(=O)=O)cc2)ccc1F.
What is the InChIKey of 4-[2-benzyl-4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is QSHAMLLJARUCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3S/c1-15-13-18(9-12-20(15)24)22-23(17-7-10-19(11-8-17)30(25,27)28)29-21(26-22)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H2,25,27,28).
What are the key properties of 4-[2-benzyl-4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
4-[2-benzyl-4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 422.48 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-benzyl-4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 18701854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).