5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride

C14H20Cl2N4O — CID 120754848

IUPAC5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
SMILESCc1cnc(CN2CCNCC2c2cccnc2)o1.Cl.Cl
InChIInChI=1S/C14H18N4O.2ClH/c1-11-7-17-14(19-11)10-18-6-5-16-9-13(18)12-3-2-4-15-8-12;;/h2-4,7-8,13,16H,5-6,9-10H2,1H3;2*1H
InChIKeyLKMIMYZIQOWUEM-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.37
Rot. Bonds3

About 5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride

5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride (PubChem CID 120754848) has the molecular formula C14H20Cl2N4O and a molecular weight of 331.25 g/mol. Its IUPAC name is 5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride.

Molecular Properties

Compound Name5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
PubChem CID120754848
Molecular FormulaC14H20Cl2N4O
Molecular Weight331.25 g/mol
Exact Mass330.10
IUPAC Name5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
SMILESCc1cnc(CN2CCNCC2c2cccnc2)o1.Cl.Cl
InChIInChI=1S/C14H18N4O.2ClH/c1-11-7-17-14(19-11)10-18-6-5-16-9-13(18)12-3-2-4-15-8-12;;/h2-4,7-8,13,16H,5-6,9-10H2,1H3;2*1H
InChIKeyLKMIMYZIQOWUEM-UHFFFAOYSA-N
XLogP2.37
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromophenyl)-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 120755758
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride
CID 120870642
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
CID 120768364
3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride
CID 120755446
1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120768241
1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768082
1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120767944

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride?
The IUPAC name of 5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride (CID 120754848) is 5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride.
What is the SMILES notation for 5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride?
The canonical SMILES for 5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride is Cc1cnc(CN2CCNCC2c2cccnc2)o1.Cl.Cl.
What is the InChIKey of 5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride?
The InChIKey is LKMIMYZIQOWUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.2ClH/c1-11-7-17-14(19-11)10-18-6-5-16-9-13(18)12-3-2-4-15-8-12;;/h2-4,7-8,13,16H,5-6,9-10H2,1H3;2*1H.
What are the key properties of 5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride?
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride has a molecular weight of 331.25 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride is sourced from PubChem (CID 120754848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).