2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,3-dimethylpiperazin-1-yl)ethanone

C13H21N3O2 — CID 120570202

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,3-dimethylpiperazin-1-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCNC(C)C1C
InChIInChI=1S/C13H21N3O2/c1-8-10(3)16(6-5-14-8)13(17)7-12-9(2)15-18-11(12)4/h8,10,14H,5-7H2,1-4H3
InChIKeyIDXCQNNTDGFUIV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.04
Rot. Bonds2

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,3-dimethylpiperazin-1-yl)ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,3-dimethylpiperazin-1-yl)ethanone (PubChem CID 120570202) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,3-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,3-dimethylpiperazin-1-yl)ethanone
PubChem CID120570202
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,3-dimethylpiperazin-1-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCNC(C)C1C
InChIInChI=1S/C13H21N3O2/c1-8-10(3)16(6-5-14-8)13(17)7-12-9(2)15-18-11(12)4/h8,10,14H,5-7H2,1-4H3
InChIKeyIDXCQNNTDGFUIV-UHFFFAOYSA-N
XLogP1.04
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 120571003
1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 94051203
(2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 66264676
1-(2,3-dimethylpiperazin-1-yl)-2-(5-methylthiophen-2-yl)ethanone;hydrochloride
CID 120572529
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone;hydrochloride
CID 119597065
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732156
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120573054
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129430390
1-(4-cyclopropylidenepiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 121184167
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 51075305
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 9363431
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone
CID 86780296

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,3-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,3-dimethylpiperazin-1-yl)ethanone (CID 120570202) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,3-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,3-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,3-dimethylpiperazin-1-yl)ethanone is Cc1noc(C)c1CC(=O)N1CCNC(C)C1C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,3-dimethylpiperazin-1-yl)ethanone?
The InChIKey is IDXCQNNTDGFUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8-10(3)16(6-5-14-8)13(17)7-12-9(2)15-18-11(12)4/h8,10,14H,5-7H2,1-4H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,3-dimethylpiperazin-1-yl)ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,3-dimethylpiperazin-1-yl)ethanone has a molecular weight of 251.33 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2,3-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 120570202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).