5-(1-amino-1-phenylpropan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine

C14H20N4O — CID 116809394

IUPAC5-(1-amino-1-phenylpropan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
SMILESCCN(C)c1noc(C(C)C(N)c2ccccc2)n1
InChIInChI=1S/C14H20N4O/c1-4-18(3)14-16-13(19-17-14)10(2)12(15)11-8-6-5-7-9-11/h5-10,12H,4,15H2,1-3H3
InChIKeyYSWIKGXOFFWVRP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.33
Rot. Bonds5

About 5-(1-amino-1-phenylpropan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine

5-(1-amino-1-phenylpropan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine (PubChem CID 116809394) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(1-amino-1-phenylpropan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(1-amino-1-phenylpropan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
PubChem CID116809394
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-(1-amino-1-phenylpropan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
SMILESCCN(C)c1noc(C(C)C(N)c2ccccc2)n1
InChIInChI=1S/C14H20N4O/c1-4-18(3)14-16-13(19-17-14)10(2)12(15)11-8-6-5-7-9-11/h5-10,12H,4,15H2,1-3H3
InChIKeyYSWIKGXOFFWVRP-UHFFFAOYSA-N
XLogP2.33
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine
CID 104847428
2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 104847420
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 116733106
5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808252
N-ethyl-5-[1-(ethylamino)propan-2-yl]-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808322
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride
CID 119948094
N-ethyl-N-methyl-5-[1-(propylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 116809420
5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806455
5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115753218
(1S)-1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103822421
5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 114918225
2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
CID 16784984

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-1-phenylpropan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(1-amino-1-phenylpropan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine (CID 116809394) is 5-(1-amino-1-phenylpropan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(1-amino-1-phenylpropan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(1-amino-1-phenylpropan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine is CCN(C)c1noc(C(C)C(N)c2ccccc2)n1.
What is the InChIKey of 5-(1-amino-1-phenylpropan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The InChIKey is YSWIKGXOFFWVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-18(3)14-16-13(19-17-14)10(2)12(15)11-8-6-5-7-9-11/h5-10,12H,4,15H2,1-3H3.
What are the key properties of 5-(1-amino-1-phenylpropan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
5-(1-amino-1-phenylpropan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine has a molecular weight of 260.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-1-phenylpropan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116809394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).