5-[(4-methylpiperazin-2-yl)methyl]-1,2-oxazol-3-one

C9H15N3O2 — CID 83856633

IUPAC5-[(4-methylpiperazin-2-yl)methyl]-1,2-oxazol-3-one
SMILESCN1CCNC(Cc2cc(=O)[nH]o2)C1
InChIInChI=1S/C9H15N3O2/c1-12-3-2-10-7(6-12)4-8-5-9(13)11-14-8/h5,7,10H,2-4,6H2,1H3,(H,11,13)
InChIKeyCSOUECSVOVOAHI-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.59
Rot. Bonds2

About 5-[(4-methylpiperazin-2-yl)methyl]-1,2-oxazol-3-one

5-[(4-methylpiperazin-2-yl)methyl]-1,2-oxazol-3-one (PubChem CID 83856633) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-2-yl)methyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[(4-methylpiperazin-2-yl)methyl]-1,2-oxazol-3-one
PubChem CID83856633
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-[(4-methylpiperazin-2-yl)methyl]-1,2-oxazol-3-one
SMILESCN1CCNC(Cc2cc(=O)[nH]o2)C1
InChIInChI=1S/C9H15N3O2/c1-12-3-2-10-7(6-12)4-8-5-9(13)11-14-8/h5,7,10H,2-4,6H2,1H3,(H,11,13)
InChIKeyCSOUECSVOVOAHI-UHFFFAOYSA-N
XLogP-0.59
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methylpiperazin-2-yl)methyl]-1,2-dihydropyrazol-3-one
CID 83847703
(3R)-3-(fluoromethyl)-1-methylpiperazine
CID 67523011
3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine
CID 116928127
3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine
CID 82292400
1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine
CID 116881215
1-methyl-3-[(1-methylimidazol-2-yl)methyl]piperazine
CID 83443620
3-[(4-methoxyphenyl)methyl]-1-methylpiperazine
CID 82286365
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
1-methyl-3-(2-phenylethyl)piperazine
CID 82470032
3-methyl-N-[(3-oxo-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carboxamide
CID 178147964
3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methylpiperazine
CID 116991840

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-2-yl)methyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[(4-methylpiperazin-2-yl)methyl]-1,2-oxazol-3-one (CID 83856633) is 5-[(4-methylpiperazin-2-yl)methyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[(4-methylpiperazin-2-yl)methyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[(4-methylpiperazin-2-yl)methyl]-1,2-oxazol-3-one is CN1CCNC(Cc2cc(=O)[nH]o2)C1.
What is the InChIKey of 5-[(4-methylpiperazin-2-yl)methyl]-1,2-oxazol-3-one?
The InChIKey is CSOUECSVOVOAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-12-3-2-10-7(6-12)4-8-5-9(13)11-14-8/h5,7,10H,2-4,6H2,1H3,(H,11,13).
What are the key properties of 5-[(4-methylpiperazin-2-yl)methyl]-1,2-oxazol-3-one?
5-[(4-methylpiperazin-2-yl)methyl]-1,2-oxazol-3-one has a molecular weight of 197.24 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-2-yl)methyl]-1,2-oxazol-3-one is sourced from PubChem (CID 83856633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).