4-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

C19H27N3O4S — CID 42501959

IUPAC4-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1ccc(C)c(OCCN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1
InChIInChI=1S/C19H27N3O4S/c1-14-5-6-15(2)18(13-14)25-12-11-21-7-9-22(10-8-21)27(23,24)19-16(3)20-26-17(19)4/h5-6,13H,7-12H2,1-4H3
InChIKeyQWDOMUVKLTUFOG-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.29
Rot. Bonds6

About 4-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

4-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (PubChem CID 42501959) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 4-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
PubChem CID42501959
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name4-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1ccc(C)c(OCCN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1
InChIInChI=1S/C19H27N3O4S/c1-14-5-6-15(2)18(13-14)25-12-11-21-7-9-22(10-8-21)27(23,24)19-16(3)20-26-17(19)4/h5-6,13H,7-12H2,1-4H3
InChIKeyQWDOMUVKLTUFOG-UHFFFAOYSA-N
XLogP2.29
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 112798679
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 17478178
4-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 17479583
4-[4-(3-methoxypropyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113073445
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol
CID 47120907
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560004
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 7016183
1-[2-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine
CID 110638281
2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid
CID 43521786
1-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 3828999
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (CID 42501959) is 4-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is Cc1ccc(C)c(OCCN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1.
What is the InChIKey of 4-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The InChIKey is QWDOMUVKLTUFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-14-5-6-15(2)18(13-14)25-12-11-21-7-9-22(10-8-21)27(23,24)19-16(3)20-26-17(19)4/h5-6,13H,7-12H2,1-4H3.
What are the key properties of 4-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
4-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole has a molecular weight of 393.51 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 42501959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).