[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C18H23N3O5S — CID 110328495

IUPAC[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(C)on3)CC2)cc1C
InChIInChI=1S/C18H23N3O5S/c1-12-10-17(13(2)9-16(12)25-4)27(23,24)21-7-5-20(6-8-21)18(22)15-11-14(3)26-19-15/h9-11H,5-8H2,1-4H3
InChIKeyKQRXSOHWRKMPLH-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.76
Rot. Bonds4

About [4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 110328495) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is [4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID110328495
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(C)on3)CC2)cc1C
InChIInChI=1S/C18H23N3O5S/c1-12-10-17(13(2)9-16(12)25-4)27(23,24)21-7-5-20(6-8-21)18(22)15-11-14(3)26-19-15/h9-11H,5-8H2,1-4H3
InChIKeyKQRXSOHWRKMPLH-UHFFFAOYSA-N
XLogP1.76
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone with MolForge

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Related Compounds

[4-(2,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 110645782
cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818749
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
(2-methoxyphenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 110328432
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51154217
1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817224
2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110419120
2,2-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110328421
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51146569
4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708150
methyl 4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110645755
[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 110328475

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 110328495) is [4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is COc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(C)on3)CC2)cc1C.
What is the InChIKey of [4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is KQRXSOHWRKMPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-12-10-17(13(2)9-16(12)25-4)27(23,24)21-7-5-20(6-8-21)18(22)15-11-14(3)26-19-15/h9-11H,5-8H2,1-4H3.
What are the key properties of [4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 393.47 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 110328495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).