4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole

C24H29N3O5S — CID 53053476

IUPAC4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole
SMILESCCOc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccccc4OC)oc3C)CC2)cc1
InChIInChI=1S/C24H29N3O5S/c1-4-31-19-9-11-20(12-10-19)33(28,29)27-15-13-26(14-16-27)17-22-18(2)32-24(25-22)21-7-5-6-8-23(21)30-3/h5-12H,4,13-17H2,1-3H3
InChIKeyWJPYRHYKQWFMQE-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.56
Rot. Bonds8

About 4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole

4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole (PubChem CID 53053476) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is 4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole
PubChem CID53053476
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole
SMILESCCOc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccccc4OC)oc3C)CC2)cc1
InChIInChI=1S/C24H29N3O5S/c1-4-31-19-9-11-20(12-10-19)33(28,29)27-15-13-26(14-16-27)17-22-18(2)32-24(25-22)21-7-5-6-8-23(21)30-3/h5-12H,4,13-17H2,1-3H3
InChIKeyWJPYRHYKQWFMQE-UHFFFAOYSA-N
XLogP3.56
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methoxyphenyl)-4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53053460
4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole
CID 53053463
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 53053481
2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 25491864
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
5-(azepan-1-yl)-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazole
CID 18890569
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869
4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 53084890
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole
CID 42199005
2-(4-methoxyphenyl)-5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole
CID 53004330
4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole
CID 53084969
N-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide
CID 56743559

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole (CID 53053476) is 4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole is CCOc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccccc4OC)oc3C)CC2)cc1.
What is the InChIKey of 4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole?
The InChIKey is WJPYRHYKQWFMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-4-31-19-9-11-20(12-10-19)33(28,29)27-15-13-26(14-16-27)17-22-18(2)32-24(25-22)21-7-5-6-8-23(21)30-3/h5-12H,4,13-17H2,1-3H3.
What are the key properties of 4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole?
4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole has a molecular weight of 471.58 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 53053476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).