5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole

C11H19N3O — CID 120967134

IUPAC5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CCNC(C)C2C)on1
InChIInChI=1S/C11H19N3O/c1-8-6-11(15-13-8)7-14-5-4-12-9(2)10(14)3/h6,9-10,12H,4-5,7H2,1-3H3
InChIKeyMQIJKEQGLPZLCL-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.17
Rot. Bonds2

About 5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole

5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole (PubChem CID 120967134) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole
PubChem CID120967134
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CCNC(C)C2C)on1
InChIInChI=1S/C11H19N3O/c1-8-6-11(15-13-8)7-14-5-4-12-9(2)10(14)3/h6,9-10,12H,4-5,7H2,1-3H3
InChIKeyMQIJKEQGLPZLCL-UHFFFAOYSA-N
XLogP1.17
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole
CID 64937197
1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2-carbonitrile
CID 79085339
3-methyl-5-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 64937195
[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788285
5-[(2,6-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole
CID 63910440
(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 115278409
[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine
CID 80505800
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 63255733
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 171326405
6-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-benzothiazole;hydrochloride
CID 120843286
(2R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane
CID 99926715
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340129

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole (CID 120967134) is 5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole is Cc1cc(CN2CCNC(C)C2C)on1.
What is the InChIKey of 5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole?
The InChIKey is MQIJKEQGLPZLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-6-11(15-13-8)7-14-5-4-12-9(2)10(14)3/h6,9-10,12H,4-5,7H2,1-3H3.
What are the key properties of 5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole?
5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole has a molecular weight of 209.29 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 120967134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).