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

C12H21N3O — CID 106376648

IUPAC2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
SMILESCCc1cnc(CN2CCNC(C)(C)C2)o1
InChIInChI=1S/C12H21N3O/c1-4-10-7-13-11(16-10)8-15-6-5-14-12(2,3)9-15/h7,14H,4-6,8-9H2,1-3H3
InChIKeyCUWORISPVDTOHN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.42
Rot. Bonds3

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

2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole (PubChem CID 106376648) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
PubChem CID106376648
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
SMILESCCc1cnc(CN2CCNC(C)(C)C2)o1
InChIInChI=1S/C12H21N3O/c1-4-10-7-13-11(16-10)8-15-6-5-14-12(2,3)9-15/h7,14H,4-6,8-9H2,1-3H3
InChIKeyCUWORISPVDTOHN-UHFFFAOYSA-N
XLogP1.42
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376771
2-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-5-ethyl-1,3-oxazole
CID 106376662
2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
CID 106376633
2-[(3,3-dimethylpiperazin-1-yl)methyl]pyrimidine
CID 64831656
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-one
CID 106373083
1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine
CID 104956316
5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64925151
1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethyl-1,4-diazepane
CID 64872068
8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
CID 64832242
3-[(3,3-dimethylpiperazin-1-yl)methyl]-4-methylaniline
CID 68626792
1-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethyl-1,4-diazepane
CID 82745597
(5S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 96521180

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole?
The IUPAC name of 2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole (CID 106376648) is 2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole.
What is the SMILES notation for 2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole?
The canonical SMILES for 2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole is CCc1cnc(CN2CCNC(C)(C)C2)o1.
What is the InChIKey of 2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole?
The InChIKey is CUWORISPVDTOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-10-7-13-11(16-10)8-15-6-5-14-12(2,3)9-15/h7,14H,4-6,8-9H2,1-3H3.
What are the key properties of 2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole?
2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole has a molecular weight of 223.32 g/mol, XLogP of 1.42, 3 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-ethyl-1,3-oxazole is sourced from PubChem (CID 106376648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).