1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C17H24N4O2 — CID 120865042

IUPAC1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(C2CN(Cc3ccccc3)CCO2)n1
InChIInChI=1S/C17H24N4O2/c1-13(18-2)10-16-19-17(23-20-16)15-12-21(8-9-22-15)11-14-6-4-3-5-7-14/h3-7,13,15,18H,8-12H2,1-2H3
InChIKeyHESPPICKMIECQE-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.79
Rot. Bonds6

About 1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120865042) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120865042
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(C2CN(Cc3ccccc3)CCO2)n1
InChIInChI=1S/C17H24N4O2/c1-13(18-2)10-16-19-17(23-20-16)15-12-21(8-9-22-15)11-14-6-4-3-5-7-14/h3-7,13,15,18H,8-12H2,1-2H3
InChIKeyHESPPICKMIECQE-UHFFFAOYSA-N
XLogP1.79
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine with MolForge

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Related Compounds

1-[5-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866988
4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 46956712
(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine
CID 92575825
4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 46956717
1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
CID 120868817
2-[4-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenyl]benzoic acid
CID 124976748
1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115077206
(2S)-4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 92575817
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
CID 120866958
1-[5-(1-benzylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867235
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
3-[3-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbenzamide
CID 75474012

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120865042) is 1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(C2CN(Cc3ccccc3)CCO2)n1.
What is the InChIKey of 1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is HESPPICKMIECQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(18-2)10-16-19-17(23-20-16)15-12-21(8-9-22-15)11-14-6-4-3-5-7-14/h3-7,13,15,18H,8-12H2,1-2H3.
What are the key properties of 1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 316.41 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120865042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).