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

C18H25N3O5S — CID 17478178

IUPAC4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(OCCN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1
InChIInChI=1S/C18H25N3O5S/c1-14-18(15(2)26-19-14)27(22,23)21-10-8-20(9-11-21)12-13-25-17-6-4-16(24-3)5-7-17/h4-7H,8-13H2,1-3H3
InChIKeyKVCAINOTQCLNDL-UHFFFAOYSA-N
MW395.48 g/mol
LogP1.69
Rot. Bonds7

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

4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (PubChem CID 17478178) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
PubChem CID17478178
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC Name4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(OCCN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1
InChIInChI=1S/C18H25N3O5S/c1-14-18(15(2)26-19-14)27(22,23)21-10-8-20(9-11-21)12-13-25-17-6-4-16(24-3)5-7-17/h4-7H,8-13H2,1-3H3
InChIKeyKVCAINOTQCLNDL-UHFFFAOYSA-N
XLogP1.69
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 17479583
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 3828999
4-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 42501959
4-[4-(3-methoxypropyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113073445
4-[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 112798679
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 7016183
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol
CID 47120907
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 51307617
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108559543
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 26667752
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(4-methoxyphenyl)morpholine
CID 110327282
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 6625085

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (CID 17478178) is 4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is COc1ccc(OCCN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1.
What is the InChIKey of 4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The InChIKey is KVCAINOTQCLNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-14-18(15(2)26-19-14)27(22,23)21-10-8-20(9-11-21)12-13-25-17-6-4-16(24-3)5-7-17/h4-7H,8-13H2,1-3H3.
What are the key properties of 4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole has a molecular weight of 395.48 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 17478178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).