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

C11H19N3O — CID 106376771

IUPAC2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(CN2CCNC(C)(C)C2)o1
InChIInChI=1S/C11H19N3O/c1-9-6-12-10(15-9)7-14-5-4-13-11(2,3)8-14/h6,13H,4-5,7-8H2,1-3H3
InChIKeyWHEASXOWRFPDRR-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.17
Rot. Bonds2

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

2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole (PubChem CID 106376771) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
PubChem CID106376771
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(CN2CCNC(C)(C)C2)o1
InChIInChI=1S/C11H19N3O/c1-9-6-12-10(15-9)7-14-5-4-13-11(2,3)8-14/h6,13H,4-5,7-8H2,1-3H3
InChIKeyWHEASXOWRFPDRR-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

2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
CID 106376648
5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole
CID 106376719
[3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanol
CID 84589464
2-[(3,3-dimethylpiperazin-1-yl)methyl]pyrimidine
CID 64831656
2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376746
2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376781
(5S)-7-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 97008299
2-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-5-ethyl-1,3-oxazole
CID 106376662
1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine
CID 104956316
5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 22762631
3,3-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 64950592
8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
CID 64832242

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole (CID 106376771) is 2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole is Cc1cnc(CN2CCNC(C)(C)C2)o1.
What is the InChIKey of 2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole?
The InChIKey is WHEASXOWRFPDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-6-12-10(15-9)7-14-5-4-13-11(2,3)8-14/h6,13H,4-5,7-8H2,1-3H3.
What are the key properties of 2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole?
2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-methyl-1,3-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 2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 106376771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).