[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

C24H27N3O5S — CID 25161947

IUPAC[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3OCc3c(C)noc3C)CC2)cc1
InChIInChI=1S/C24H27N3O5S/c1-17-8-10-20(11-9-17)33(29,30)27-14-12-26(13-15-27)24(28)21-6-4-5-7-23(21)31-16-22-18(2)25-32-19(22)3/h4-11H,12-16H2,1-3H3
InChIKeyMTHCCBMUCJNFFG-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.33
Rot. Bonds6

About [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 25161947) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID25161947
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Name[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3OCc3c(C)noc3C)CC2)cc1
InChIInChI=1S/C24H27N3O5S/c1-17-8-10-20(11-9-17)33(29,30)27-14-12-26(13-15-27)24(28)21-6-4-5-7-23(21)31-16-22-18(2)25-32-19(22)3/h4-11H,12-16H2,1-3H3
InChIKeyMTHCCBMUCJNFFG-UHFFFAOYSA-N
XLogP3.33
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 4846811
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 24818185
[2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 25163087
1-{2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 25163258
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 2097552
N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-2-ethoxy-benzamide
CID 3119935
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4794475
[2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 4854246
N-hydroxy-1-(4-methoxyphenylsulfonyl)-4-(5-methyl-3-phenylisoxazole-4-carbonyl)piperazine-2-carboxamide
CID 10696713
N-[(2-Ethoxyphenyl)methyl]-1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-YL}sulfonyl)piperidine-4-carboxamide
CID 16029377
[1-[[5-[(E)-2-(2-ethoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 16034456
1-({5-[(1E)-2-(2-Ethoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-YL}sulfonyl)-N,N-diethylpiperidine-4-carboxamide
CID 16034459

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (CID 25161947) is [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3OCc3c(C)noc3C)CC2)cc1.
What is the InChIKey of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is MTHCCBMUCJNFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-17-8-10-20(11-9-17)33(29,30)27-14-12-26(13-15-27)24(28)21-6-4-5-7-23(21)31-16-22-18(2)25-32-19(22)3/h4-11H,12-16H2,1-3H3.
What are the key properties of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 469.56 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 25161947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).