N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-2-phenylethanamine

C14H20N4O — CID 120751247

IUPACN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-2-phenylethanamine
SMILESCCN(CCc1ccccc1)Cc1noc(CN)n1
InChIInChI=1S/C14H20N4O/c1-2-18(9-8-12-6-4-3-5-7-12)11-13-16-14(10-15)19-17-13/h3-7H,2,8-11,15H2,1H3
InChIKeyOFYCVMOZEKJIPU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.59
Rot. Bonds7

About N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-2-phenylethanamine

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-2-phenylethanamine (PubChem CID 120751247) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-2-phenylethanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-2-phenylethanamine
PubChem CID120751247
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-2-phenylethanamine
SMILESCCN(CCc1ccccc1)Cc1noc(CN)n1
InChIInChI=1S/C14H20N4O/c1-2-18(9-8-12-6-4-3-5-7-12)11-13-16-14(10-15)19-17-13/h3-7H,2,8-11,15H2,1H3
InChIKeyOFYCVMOZEKJIPU-UHFFFAOYSA-N
XLogP1.59
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-2-phenylethanamine
CID 120750424
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-N-(2-phenylethyl)propan-1-amine
CID 120751143
N'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N'-dibenzyl-N-methylethane-1,2-diamine
CID 120753052
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzylprop-2-en-1-amine;hydrochloride
CID 120751127
N'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N'-[(3,4-dichlorophenyl)methyl]-N,N-diethylethane-1,2-diamine;dihydrochloride
CID 120752745
N'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 120752683
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-chlorophenyl)-N-(cyclopropylmethyl)ethanamine;hydrochloride
CID 120752000
2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335871
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]-N-benzyl-1-(oxolan-2-yl)methanamine
CID 120751377
2-[N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]anilino]ethanol
CID 120750422
N'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine
CID 107366992

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-2-phenylethanamine?
The IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-2-phenylethanamine (CID 120751247) is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-2-phenylethanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-2-phenylethanamine?
The canonical SMILES for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-2-phenylethanamine is CCN(CCc1ccccc1)Cc1noc(CN)n1.
What is the InChIKey of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-2-phenylethanamine?
The InChIKey is OFYCVMOZEKJIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-18(9-8-12-6-4-3-5-7-12)11-13-16-14(10-15)19-17-13/h3-7H,2,8-11,15H2,1H3.
What are the key properties of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-2-phenylethanamine?
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-2-phenylethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-2-phenylethanamine is sourced from PubChem (CID 120751247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).