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

C15H21N5O — CID 117463936

IUPAC[3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCN1CCN(Cc2ccccc2-c2noc(CN)n2)CC1
InChIInChI=1S/C15H21N5O/c1-19-6-8-20(9-7-19)11-12-4-2-3-5-13(12)15-17-14(10-16)21-18-15/h2-5H,6-11,16H2,1H3
InChIKeyGIDZDKMOTPXGFM-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.94
Rot. Bonds4

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

[3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117463936) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is [3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117463936
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name[3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCN1CCN(Cc2ccccc2-c2noc(CN)n2)CC1
InChIInChI=1S/C15H21N5O/c1-19-6-8-20(9-7-19)11-12-4-2-3-5-13(12)15-17-14(10-16)21-18-15/h2-5H,6-11,16H2,1H3
InChIKeyGIDZDKMOTPXGFM-UHFFFAOYSA-N
XLogP0.94
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117436157
[3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117359751
[3-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117399628
3-[(4-methylpiperazin-1-yl)methyl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72841088
[3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117390951
2-[2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 39159599
(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
2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962
[3-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752607
4,5-dimethyl-2-[[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]phenol
CID 46443595
1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol
CID 115112692

Frequently Asked Questions

What is the IUPAC name of [3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 117463936) is [3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine is CN1CCN(Cc2ccccc2-c2noc(CN)n2)CC1.
What is the InChIKey of [3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is GIDZDKMOTPXGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-19-6-8-20(9-7-19)11-12-4-2-3-5-13(12)15-17-14(10-16)21-18-15/h2-5H,6-11,16H2,1H3.
What are the key properties of [3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 287.37 g/mol, XLogP of 0.94, 4 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)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117463936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).