4-[(2,6-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole

C12H21N3O — CID 63909845

IUPAC4-[(2,6-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1C(C)CNCC1C
InChIInChI=1S/C12H21N3O/c1-8-5-13-6-9(2)15(8)7-12-10(3)14-16-11(12)4/h8-9,13H,5-7H2,1-4H3
InChIKeyQBNBENKPLMLKJW-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.47
Rot. Bonds2

About 4-[(2,6-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole

4-[(2,6-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 63909845) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[(2,6-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(2,6-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID63909845
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-[(2,6-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1C(C)CNCC1C
InChIInChI=1S/C12H21N3O/c1-8-5-13-6-9(2)15(8)7-12-10(3)14-16-11(12)4/h8-9,13H,5-7H2,1-4H3
InChIKeyQBNBENKPLMLKJW-UHFFFAOYSA-N
XLogP1.47
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(2,6-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole (CID 63909845) is 4-[(2,6-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(2,6-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(2,6-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CN1C(C)CNCC1C.
What is the InChIKey of 4-[(2,6-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is QBNBENKPLMLKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8-5-13-6-9(2)15(8)7-12-10(3)14-16-11(12)4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 4-[(2,6-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
4-[(2,6-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 223.32 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 63909845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).