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

C19H22N4O — CID 120750424

IUPACN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-2-phenylethanamine
SMILESNCc1nc(CN(CCc2ccccc2)Cc2ccccc2)no1
InChIInChI=1S/C19H22N4O/c20-13-19-21-18(22-24-19)15-23(14-17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h1-10H,11-15,20H2
InChIKeyKQAYQBKRZCZGBX-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.77
Rot. Bonds8

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

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-2-phenylethanamine (PubChem CID 120750424) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-2-phenylethanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-2-phenylethanamine
PubChem CID120750424
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-2-phenylethanamine
SMILESNCc1nc(CN(CCc2ccccc2)Cc2ccccc2)no1
InChIInChI=1S/C19H22N4O/c20-13-19-21-18(22-24-19)15-23(14-17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h1-10H,11-15,20H2
InChIKeyKQAYQBKRZCZGBX-UHFFFAOYSA-N
XLogP2.77
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.77
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-ethyl-2-phenylethanamine
CID 120751247
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-benzyl-1-(oxolan-2-yl)methanamine
CID 120751377
N'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine
CID 107366992
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-chlorophenyl)-N-(cyclopropylmethyl)ethanamine;hydrochloride
CID 120752000
2-[N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]anilino]ethanol
CID 120750422
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'-dimethyl-N'-phenylethane-1,2-diamine
CID 120752884
2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335871
N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872650

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-2-phenylethanamine?
The IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-2-phenylethanamine (CID 120750424) is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-2-phenylethanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-2-phenylethanamine?
The canonical SMILES for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-2-phenylethanamine is NCc1nc(CN(CCc2ccccc2)Cc2ccccc2)no1.
What is the InChIKey of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-2-phenylethanamine?
The InChIKey is KQAYQBKRZCZGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c20-13-19-21-18(22-24-19)15-23(14-17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h1-10H,11-15,20H2.
What are the key properties of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-2-phenylethanamine?
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-2-phenylethanamine has a molecular weight of 322.41 g/mol, XLogP of 2.77, 8 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-benzyl-2-phenylethanamine is sourced from PubChem (CID 120750424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).