[3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine

C12H15ClN4O — CID 120750529

IUPAC[3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCN(Cc1noc(CN)n1)Cc1ccccc1Cl
InChIInChI=1S/C12H15ClN4O/c1-17(7-9-4-2-3-5-10(9)13)8-11-15-12(6-14)18-16-11/h2-5H,6-8,14H2,1H3
InChIKeyVXVPPZLTJAYJCG-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.81
Rot. Bonds5

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

[3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 120750529) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is [3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID120750529
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name[3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCN(Cc1noc(CN)n1)Cc1ccccc1Cl
InChIInChI=1S/C12H15ClN4O/c1-17(7-9-4-2-3-5-10(9)13)8-11-15-12(6-14)18-16-11/h2-5H,6-8,14H2,1H3
InChIKeyVXVPPZLTJAYJCG-UHFFFAOYSA-N
XLogP1.81
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine with MolForge

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Related Compounds

[3-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750514
[3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752565
[3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750716
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
[3-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750487
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N'-dimethyl-N'-phenylethane-1,2-diamine
CID 120752884
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(2-chlorophenyl)-N,2-dimethylpropan-1-amine;hydrochloride
CID 120751954
1-(2-chlorophenyl)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 26515684
2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336070
[3-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751743
[3-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750648
N-[[5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62411380

Frequently Asked Questions

What is the IUPAC name of [3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 120750529) is [3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine is CN(Cc1noc(CN)n1)Cc1ccccc1Cl.
What is the InChIKey of [3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is VXVPPZLTJAYJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-17(7-9-4-2-3-5-10(9)13)8-11-15-12(6-14)18-16-11/h2-5H,6-8,14H2,1H3.
What are the key properties of [3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 266.73 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 120750529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).