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

C17H24N4O2 — CID 29259012

IUPACN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine
SMILESCN(CCN1CCOCC1)Cc1nc(Cc2ccccc2)no1
InChIInChI=1S/C17H24N4O2/c1-20(7-8-21-9-11-22-12-10-21)14-17-18-16(19-23-17)13-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyHEIOSFFEMHYCAZ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.42
Rot. Bonds7

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

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine (PubChem CID 29259012) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine
PubChem CID29259012
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine
SMILESCN(CCN1CCOCC1)Cc1nc(Cc2ccccc2)no1
InChIInChI=1S/C17H24N4O2/c1-20(7-8-21-9-11-22-12-10-21)14-17-18-16(19-23-17)13-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyHEIOSFFEMHYCAZ-UHFFFAOYSA-N
XLogP1.42
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-benzyl-N-methylethanamine;dihydrochloride
CID 120752845
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915107
methyl (2S)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate
CID 94178799
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylnaphthalen-1-amine
CID 60572803
3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 39755777
N-(2-benzylsulfanylethyl)-N-methyl-2-morpholin-4-ylethanamine
CID 118585226
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
CID 111753093
(2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol
CID 94817190
N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28577606
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
N-[2-[[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]ethyl]methanesulfonamide
CID 86947261
(3S,4R)-1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 79410414

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine (CID 29259012) is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine is CN(CCN1CCOCC1)Cc1nc(Cc2ccccc2)no1.
What is the InChIKey of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine?
The InChIKey is HEIOSFFEMHYCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-20(7-8-21-9-11-22-12-10-21)14-17-18-16(19-23-17)13-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3.
What are the key properties of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine?
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine has a molecular weight of 316.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine is sourced from PubChem (CID 29259012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).