2-(2,5-dimethylphenoxy)-1-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone

C18H24N4O3 — CID 129484397

IUPAC2-(2,5-dimethylphenoxy)-1-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone
SMILESCc1ccc(C)c(OCC(=O)N2CCN(C)[C@H](c3nc(C)no3)C2)c1
InChIInChI=1S/C18H24N4O3/c1-12-5-6-13(2)16(9-12)24-11-17(23)22-8-7-21(4)15(10-22)18-19-14(3)20-25-18/h5-6,9,15H,7-8,10-11H2,1-4H3/t15-/m0/s1
InChIKeyMEIMGFHAGRPHMP-HNNXBMFYSA-N
MW344.42 g/mol
LogP1.89
Rot. Bonds4

About 2-(2,5-dimethylphenoxy)-1-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone

2-(2,5-dimethylphenoxy)-1-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone (PubChem CID 129484397) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-1-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-1-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone
PubChem CID129484397
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-(2,5-dimethylphenoxy)-1-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone
SMILESCc1ccc(C)c(OCC(=O)N2CCN(C)[C@H](c3nc(C)no3)C2)c1
InChIInChI=1S/C18H24N4O3/c1-12-5-6-13(2)16(9-12)24-11-17(23)22-8-7-21(4)15(10-22)18-19-14(3)20-25-18/h5-6,9,15H,7-8,10-11H2,1-4H3/t15-/m0/s1
InChIKeyMEIMGFHAGRPHMP-HNNXBMFYSA-N
XLogP1.89
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,5-dimethylphenoxy)-1-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

3-(2-fluorophenoxy)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 129482755
2-(2,4-difluorophenyl)-1-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone
CID 128981752
2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone
CID 129484617
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 79410255
(3-methylfuran-2-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129482631
(4-fluoro-2-methylphenyl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129491580
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 124611763
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 124611762
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 90564159
2-(2,5-dimethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115966187
2-(2-ethylphenoxy)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 154793854
(3,5-difluoro-2-pyridinyl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129484206

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-1-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,5-dimethylphenoxy)-1-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone (CID 129484397) is 2-(2,5-dimethylphenoxy)-1-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-1-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-1-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone is Cc1ccc(C)c(OCC(=O)N2CCN(C)[C@H](c3nc(C)no3)C2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-1-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone?
The InChIKey is MEIMGFHAGRPHMP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-5-6-13(2)16(9-12)24-11-17(23)22-8-7-21(4)15(10-22)18-19-14(3)20-25-18/h5-6,9,15H,7-8,10-11H2,1-4H3/t15-/m0/s1.
What are the key properties of 2-(2,5-dimethylphenoxy)-1-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone?
2-(2,5-dimethylphenoxy)-1-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone has a molecular weight of 344.42 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-1-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 129484397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).