1-[4-[4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-methoxyethanone

C23H25N3O6S — CID 53048962

IUPAC1-[4-[4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2oc(-c3ccccc3OC)nc2S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H25N3O6S/c1-30-16-20(27)25-12-14-26(15-13-25)23-22(33(28,29)17-8-4-3-5-9-17)24-21(32-23)18-10-6-7-11-19(18)31-2/h3-11H,12-16H2,1-2H3
InChIKeyMTFQBZMLKFWAMI-UHFFFAOYSA-N
MW471.54 g/mol
LogP2.48
Rot. Bonds7

About 1-[4-[4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-methoxyethanone

1-[4-[4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-methoxyethanone (PubChem CID 53048962) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is 1-[4-[4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-methoxyethanone
PubChem CID53048962
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC Name1-[4-[4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2oc(-c3ccccc3OC)nc2S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H25N3O6S/c1-30-16-20(27)25-12-14-26(15-13-25)23-22(33(28,29)17-8-4-3-5-9-17)24-21(32-23)18-10-6-7-11-19(18)31-2/h3-11H,12-16H2,1-2H3
InChIKeyMTFQBZMLKFWAMI-UHFFFAOYSA-N
XLogP2.48
TPSA102.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-[4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-methoxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-methoxyethanone (CID 53048962) is 1-[4-[4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(c2oc(-c3ccccc3OC)nc2S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-[4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-methoxyethanone?
The InChIKey is MTFQBZMLKFWAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-30-16-20(27)25-12-14-26(15-13-25)23-22(33(28,29)17-8-4-3-5-9-17)24-21(32-23)18-10-6-7-11-19(18)31-2/h3-11H,12-16H2,1-2H3.
What are the key properties of 1-[4-[4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-methoxyethanone?
1-[4-[4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-methoxyethanone has a molecular weight of 471.54 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 53048962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).