4-(benzenesulfonyl)-2-[2-(4-methoxyphenyl)ethenyl]-5-(4-methylpiperazin-1-yl)-1,3-oxazole

C23H25N3O4S — CID 171150929

IUPAC4-(benzenesulfonyl)-2-[2-(4-methoxyphenyl)ethenyl]-5-(4-methylpiperazin-1-yl)-1,3-oxazole
SMILESCOc1ccc(C=Cc2nc(S(=O)(=O)c3ccccc3)c(N3CCN(C)CC3)o2)cc1
InChIInChI=1S/C23H25N3O4S/c1-25-14-16-26(17-15-25)23-22(31(27,28)20-6-4-3-5-7-20)24-21(30-23)13-10-18-8-11-19(29-2)12-9-18/h3-13H,14-17H2,1-2H3
InChIKeyFSOHSTZTBPUSOJ-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.44
Rot. Bonds6

About 4-(benzenesulfonyl)-2-[2-(4-methoxyphenyl)ethenyl]-5-(4-methylpiperazin-1-yl)-1,3-oxazole

4-(benzenesulfonyl)-2-[2-(4-methoxyphenyl)ethenyl]-5-(4-methylpiperazin-1-yl)-1,3-oxazole (PubChem CID 171150929) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-[2-(4-methoxyphenyl)ethenyl]-5-(4-methylpiperazin-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-[2-(4-methoxyphenyl)ethenyl]-5-(4-methylpiperazin-1-yl)-1,3-oxazole
PubChem CID171150929
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name4-(benzenesulfonyl)-2-[2-(4-methoxyphenyl)ethenyl]-5-(4-methylpiperazin-1-yl)-1,3-oxazole
SMILESCOc1ccc(C=Cc2nc(S(=O)(=O)c3ccccc3)c(N3CCN(C)CC3)o2)cc1
InChIInChI=1S/C23H25N3O4S/c1-25-14-16-26(17-15-25)23-22(31(27,28)20-6-4-3-5-7-20)24-21(30-23)13-10-18-8-11-19(29-2)12-9-18/h3-13H,14-17H2,1-2H3
InChIKeyFSOHSTZTBPUSOJ-UHFFFAOYSA-N
XLogP3.44
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(azepan-1-yl)-4-(benzenesulfonyl)-2-[(4-methoxyphenyl)methyl]-1,3-oxazole
CID 18839597
5-(azepan-1-yl)-4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazole
CID 1316588
2-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole
CID 18890240
5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647281
2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole
CID 18890231
4-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,3-oxazole
CID 1154497
4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole
CID 18824739
2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-1,3-oxazole
CID 4825667
5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-oxazole
CID 18827069
1-[4-[4-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-methoxyethanone
CID 53048962
4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole
CID 18826495
2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-1,3-oxazole
CID 18825067

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-[2-(4-methoxyphenyl)ethenyl]-5-(4-methylpiperazin-1-yl)-1,3-oxazole?
The IUPAC name of 4-(benzenesulfonyl)-2-[2-(4-methoxyphenyl)ethenyl]-5-(4-methylpiperazin-1-yl)-1,3-oxazole (CID 171150929) is 4-(benzenesulfonyl)-2-[2-(4-methoxyphenyl)ethenyl]-5-(4-methylpiperazin-1-yl)-1,3-oxazole.
What is the SMILES notation for 4-(benzenesulfonyl)-2-[2-(4-methoxyphenyl)ethenyl]-5-(4-methylpiperazin-1-yl)-1,3-oxazole?
The canonical SMILES for 4-(benzenesulfonyl)-2-[2-(4-methoxyphenyl)ethenyl]-5-(4-methylpiperazin-1-yl)-1,3-oxazole is COc1ccc(C=Cc2nc(S(=O)(=O)c3ccccc3)c(N3CCN(C)CC3)o2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-2-[2-(4-methoxyphenyl)ethenyl]-5-(4-methylpiperazin-1-yl)-1,3-oxazole?
The InChIKey is FSOHSTZTBPUSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-25-14-16-26(17-15-25)23-22(31(27,28)20-6-4-3-5-7-20)24-21(30-23)13-10-18-8-11-19(29-2)12-9-18/h3-13H,14-17H2,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-2-[2-(4-methoxyphenyl)ethenyl]-5-(4-methylpiperazin-1-yl)-1,3-oxazole?
4-(benzenesulfonyl)-2-[2-(4-methoxyphenyl)ethenyl]-5-(4-methylpiperazin-1-yl)-1,3-oxazole has a molecular weight of 439.54 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-[2-(4-methoxyphenyl)ethenyl]-5-(4-methylpiperazin-1-yl)-1,3-oxazole is sourced from PubChem (CID 171150929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).