5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole

C9H15N3O — CID 82713453

IUPAC5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole
SMILESC[C@@H]1CNCCN1Cc1ccno1
InChIInChI=1S/C9H15N3O/c1-8-6-10-4-5-12(8)7-9-2-3-11-13-9/h2-3,8,10H,4-7H2,1H3/t8-/m1/s1
InChIKeyOMUOYPDRLQYPLK-MRVPVSSYSA-N
MW181.24 g/mol
LogP0.47
Rot. Bonds2

About 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole

5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 82713453) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole
PubChem CID82713453
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole
SMILESC[C@@H]1CNCCN1Cc1ccno1
InChIInChI=1S/C9H15N3O/c1-8-6-10-4-5-12(8)7-9-2-3-11-13-9/h2-3,8,10H,4-7H2,1H3/t8-/m1/s1
InChIKeyOMUOYPDRLQYPLK-MRVPVSSYSA-N
XLogP0.47
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole
CID 106421827
(2R)-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 67972243
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
(2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 82755314
(2S)-1-[(2-chloro-4-pyridinyl)methyl]-2-methylpiperazine
CID 82705581
3-[[(2R)-2-methylpiperazin-1-yl]methyl]pyridazine;hydrochloride
CID 171779742
3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride
CID 171779875
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 82713825
(2R)-1-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpiperazine
CID 82761027
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 82714094
(2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine
CID 130591920

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole (CID 82713453) is 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole is C[C@@H]1CNCCN1Cc1ccno1.
What is the InChIKey of 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is OMUOYPDRLQYPLK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8-6-10-4-5-12(8)7-9-2-3-11-13-9/h2-3,8,10H,4-7H2,1H3/t8-/m1/s1.
What are the key properties of 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole?
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 181.24 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 82713453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).