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

C24H22N2O5S — CID 18701883

IUPAC4-[2-benzyl-5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCOc1cc(OC)cc(-c2oc(Cc3ccccc3)nc2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C24H22N2O5S/c1-29-19-13-18(14-20(15-19)30-2)24-23(17-8-10-21(11-9-17)32(25,27)28)26-22(31-24)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H2,25,27,28)
InChIKeyUICQOVUXPYPDMW-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.26
Rot. Bonds7

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

4-[2-benzyl-5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 18701883) has the molecular formula C24H22N2O5S and a molecular weight of 450.52 g/mol. Its IUPAC name is 4-[2-benzyl-5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-benzyl-5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID18701883
Molecular FormulaC24H22N2O5S
Molecular Weight450.52 g/mol
Exact Mass450.12
IUPAC Name4-[2-benzyl-5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCOc1cc(OC)cc(-c2oc(Cc3ccccc3)nc2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C24H22N2O5S/c1-29-19-13-18(14-20(15-19)30-2)24-23(17-8-10-21(11-9-17)32(25,27)28)26-22(31-24)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H2,25,27,28)
InChIKeyUICQOVUXPYPDMW-UHFFFAOYSA-N
XLogP4.26
TPSA104.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-benzyl-5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[2-benzyl-5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]benzenesulfonamide (CID 18701883) is 4-[2-benzyl-5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-benzyl-5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-benzyl-5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]benzenesulfonamide is COc1cc(OC)cc(-c2oc(Cc3ccccc3)nc2-c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[2-benzyl-5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is UICQOVUXPYPDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5S/c1-29-19-13-18(14-20(15-19)30-2)24-23(17-8-10-21(11-9-17)32(25,27)28)26-22(31-24)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H2,25,27,28).
What are the key properties of 4-[2-benzyl-5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]benzenesulfonamide?
4-[2-benzyl-5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 450.52 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-benzyl-5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 18701883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).