[3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine

C14H19N5O — CID 117436157

IUPAC[3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCN1CCN(c2ccccc2-c2noc(CN)n2)CC1
InChIInChI=1S/C14H19N5O/c1-18-6-8-19(9-7-18)12-5-3-2-4-11(12)14-16-13(10-15)20-17-14/h2-5H,6-10,15H2,1H3
InChIKeyKGWWMXPPJTYHIO-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.95
Rot. Bonds3

About [3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117436157) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is [3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117436157
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name[3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCN1CCN(c2ccccc2-c2noc(CN)n2)CC1
InChIInChI=1S/C14H19N5O/c1-18-6-8-19(9-7-18)12-5-3-2-4-11(12)14-16-13(10-15)20-17-14/h2-5H,6-10,15H2,1H3
InChIKeyKGWWMXPPJTYHIO-UHFFFAOYSA-N
XLogP0.95
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117399628
[3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117463936
[3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354726
[3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117359751
[3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117390951
(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 121237656
[3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117342084
3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole
CID 22115631
3-(2-fluorophenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole;dihydrochloride
CID 22115574
[3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752565
1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol
CID 115112692
[3-(3-chloro-1-methylindazol-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117414013

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 117436157) is [3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is CN1CCN(c2ccccc2-c2noc(CN)n2)CC1.
What is the InChIKey of [3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is KGWWMXPPJTYHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-18-6-8-19(9-7-18)12-5-3-2-4-11(12)14-16-13(10-15)20-17-14/h2-5H,6-10,15H2,1H3.
What are the key properties of [3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 273.34 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117436157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).