4-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C18H25N3O4S — CID 110423247

IUPAC4-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3c(C)noc3C)CC2)c(C)c1
InChIInChI=1S/C18H25N3O4S/c1-13-11-16(24-4)5-6-18(13)26(22,23)21-9-7-20(8-10-21)12-17-14(2)19-25-15(17)3/h5-6,11H,7-10,12H2,1-4H3
InChIKeyRDHPKDITRDGQPZ-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.11
Rot. Bonds5

About 4-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 110423247) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID110423247
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name4-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3c(C)noc3C)CC2)c(C)c1
InChIInChI=1S/C18H25N3O4S/c1-13-11-16(24-4)5-6-18(13)26(22,23)21-9-7-20(8-10-21)12-17-14(2)19-25-15(17)3/h5-6,11H,7-10,12H2,1-4H3
InChIKeyRDHPKDITRDGQPZ-UHFFFAOYSA-N
XLogP2.11
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 3828999
1-[(3-chlorophenyl)methyl]-4-(4-methoxy-2-methylphenyl)sulfonylpiperazine
CID 110399108
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 7016183
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxy-2-methylphenyl)-1,4-diazepane-1-carboxamide
CID 3341231
4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 8001838
3-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-indole
CID 110397518
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 17478178
4-[[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 110646657
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34782912
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8638640
1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110818820
4-[[4-(1,3-benzodioxol-5-ylsulfonyl)-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 110646655

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 110423247) is 4-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is COc1ccc(S(=O)(=O)N2CCN(Cc3c(C)noc3C)CC2)c(C)c1.
What is the InChIKey of 4-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is RDHPKDITRDGQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-13-11-16(24-4)5-6-18(13)26(22,23)21-9-7-20(8-10-21)12-17-14(2)19-25-15(17)3/h5-6,11H,7-10,12H2,1-4H3.
What are the key properties of 4-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 379.48 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 110423247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).