2-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride

C11H18ClN3O2 — CID 119470790

IUPAC2-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCc1cc(CC(=O)N2CCNCC2C)no1.Cl
InChIInChI=1S/C11H17N3O2.ClH/c1-8-7-12-3-4-14(8)11(15)6-10-5-9(2)16-13-10;/h5,8,12H,3-4,6-7H2,1-2H3;1H
InChIKeyJEVXNVUNDASTBF-UHFFFAOYSA-N
MW259.74 g/mol
LogP0.77
Rot. Bonds2

About 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride

2-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 119470790) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID119470790
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name2-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCc1cc(CC(=O)N2CCNCC2C)no1.Cl
InChIInChI=1S/C11H17N3O2.ClH/c1-8-7-12-3-4-14(8)11(15)6-10-5-9(2)16-13-10;/h5,8,12H,3-4,6-7H2,1-2H3;1H
InChIKeyJEVXNVUNDASTBF-UHFFFAOYSA-N
XLogP0.77
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-1-yl)ethanone
CID 138000455
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride
CID 120738843
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119473111
2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119473269
2-(5,6-dimethyl-1-benzofuran-3-yl)-1-(2-methylpiperazin-1-yl)ethanone
CID 119470384
1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride
CID 71639491
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 82705101
1-(2-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
CID 115273030
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 124696603
N-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylpiperazin-1-yl)propanamide
CID 62672823
2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone
CID 119471466

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride (CID 119470790) is 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride is Cc1cc(CC(=O)N2CCNCC2C)no1.Cl.
What is the InChIKey of 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is JEVXNVUNDASTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2.ClH/c1-8-7-12-3-4-14(8)11(15)6-10-5-9(2)16-13-10;/h5,8,12H,3-4,6-7H2,1-2H3;1H.
What are the key properties of 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride?
2-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 259.74 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119470790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).