3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole

C10H17N3O — CID 2772401

IUPAC3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole
SMILESCc1noc(C)c1CN1CCNCC1
InChIInChI=1S/C10H17N3O/c1-8-10(9(2)14-12-8)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3
InChIKeyLJPFGGDQLGMPPG-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.70
Rot. Bonds2

About 3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole

3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole (PubChem CID 2772401) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole
PubChem CID2772401
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole
SMILESCc1noc(C)c1CN1CCNCC1
InChIInChI=1S/C10H17N3O/c1-8-10(9(2)14-12-8)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3
InChIKeyLJPFGGDQLGMPPG-UHFFFAOYSA-N
XLogP0.70
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Dimethyl-1,2-oxazol-4-yl)methanamine
CID 11018874
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46942636
3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 2225560
Isoxazole, 5-methyl-3-(piperidinomethyl)-, hydrochloride
CID 13673
[(2S,4S)-1-[(dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030852
alpha,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006348
N,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006353
1-((Dimethyl-1,2-oxazol-4-yl)methyl)piperazine dihydrochloride
CID 42933684
1-(3,5-Dimethylisoxazol-4-Yl)Methanamine Hydrochloride
CID 45782704
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 47110196
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 47169936
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47278907

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole (CID 2772401) is 3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole is Cc1noc(C)c1CN1CCNCC1.
What is the InChIKey of 3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole?
The InChIKey is LJPFGGDQLGMPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-10(9(2)14-12-8)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole?
3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole has a molecular weight of 195.27 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 2772401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).