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

C14H20N4O2 — CID 120750482

IUPAC[3-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCCOc1ccc(CN(C)Cc2noc(CN)n2)cc1
InChIInChI=1S/C14H20N4O2/c1-3-19-12-6-4-11(5-7-12)9-18(2)10-13-16-14(8-15)20-17-13/h4-7H,3,8-10,15H2,1-2H3
InChIKeyWZYQYWRXLIRCST-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.56
Rot. Bonds7

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

[3-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 120750482) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is [3-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID120750482
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name[3-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCCOc1ccc(CN(C)Cc2noc(CN)n2)cc1
InChIInChI=1S/C14H20N4O2/c1-3-19-12-6-4-11(5-7-12)9-18(2)10-13-16-14(8-15)20-17-13/h4-7H,3,8-10,15H2,1-2H3
InChIKeyWZYQYWRXLIRCST-UHFFFAOYSA-N
XLogP1.56
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750487
[3-[[(3,5-dimethoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751120
4-[[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]methyl]-2-methoxyphenol;hydrochloride
CID 120750843
[3-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751743
N'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N'-dibenzyl-N-methylethane-1,2-diamine
CID 120753052
[3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750529
[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 51051991
[3-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750514
1-(4-ethoxyphenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine
CID 34689783
[3-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750648
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 120751201
[3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750716

Frequently Asked Questions

What is the IUPAC name of [3-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 120750482) is [3-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine is CCOc1ccc(CN(C)Cc2noc(CN)n2)cc1.
What is the InChIKey of [3-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is WZYQYWRXLIRCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-19-12-6-4-11(5-7-12)9-18(2)10-13-16-14(8-15)20-17-13/h4-7H,3,8-10,15H2,1-2H3.
What are the key properties of [3-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 276.34 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 120750482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).