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

C10H19Cl2N3O — CID 42933684

IUPAC3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole;dihydrochloride
SMILESCc1noc(C)c1CN1CCNCC1.Cl.Cl
InChIInChI=1S/C10H17N3O.2ClH/c1-8-10(9(2)14-12-8)7-13-5-3-11-4-6-13;;/h11H,3-7H2,1-2H3;2*1H
InChIKeyCDMFODORDMENTH-UHFFFAOYSA-N
MW268.19 g/mol
LogP1.54
Rot. Bonds2

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

3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole;dihydrochloride (PubChem CID 42933684) has the molecular formula C10H19Cl2N3O and a molecular weight of 268.19 g/mol. Its IUPAC name is 3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole;dihydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole;dihydrochloride
PubChem CID42933684
Molecular FormulaC10H19Cl2N3O
Molecular Weight268.19 g/mol
Exact Mass267.09
IUPAC Name3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole;dihydrochloride
SMILESCc1noc(C)c1CN1CCNCC1.Cl.Cl
InChIInChI=1S/C10H17N3O.2ClH/c1-8-10(9(2)14-12-8)7-13-5-3-11-4-6-13;;/h11H,3-7H2,1-2H3;2*1H
InChIKeyCDMFODORDMENTH-UHFFFAOYSA-N
XLogP1.54
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Dimethyl-1,2-oxazol-4-yl)methanamine
CID 11018874
1-[(Dimethyl-1,2-oxazol-4-yl)methyl]piperazine
CID 2772401
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-(3,5-Dimethylisoxazol-4-Yl)Methanamine Hydrochloride
CID 45782704
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 47110196
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47278907
4-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-1-carboxamide
CID 47865546
4-(cyclopropylmethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxamide
CID 47865683
3-(1-Acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 51083735

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole;dihydrochloride?
The IUPAC name of 3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole;dihydrochloride (CID 42933684) is 3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole;dihydrochloride.
What is the SMILES notation for 3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole;dihydrochloride?
The canonical SMILES for 3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole;dihydrochloride is Cc1noc(C)c1CN1CCNCC1.Cl.Cl.
What is the InChIKey of 3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole;dihydrochloride?
The InChIKey is CDMFODORDMENTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O.2ClH/c1-8-10(9(2)14-12-8)7-13-5-3-11-4-6-13;;/h11H,3-7H2,1-2H3;2*1H.
What are the key properties of 3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole;dihydrochloride?
3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole;dihydrochloride has a molecular weight of 268.19 g/mol, XLogP of 1.54, 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;dihydrochloride is sourced from PubChem (CID 42933684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).