2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine

C14H19N3O2 — CID 79202062

IUPAC2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
SMILESCOC(C)(C)c1noc(CC(N)c2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c1-14(2,18-3)13-16-12(19-17-13)9-11(15)10-7-5-4-6-8-10/h4-8,11H,9,15H2,1-3H3
InChIKeyKZNSOGFRBHIYAU-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.19
Rot. Bonds5

About 2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine

2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine (PubChem CID 79202062) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine.

Molecular Properties

Compound Name2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
PubChem CID79202062
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
SMILESCOC(C)(C)c1noc(CC(N)c2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c1-14(2,18-3)13-16-12(19-17-13)9-11(15)10-7-5-4-6-8-10/h4-8,11H,9,15H2,1-3H3
InChIKeyKZNSOGFRBHIYAU-UHFFFAOYSA-N
XLogP2.19
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81073152
1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79197851
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
CID 63345170
1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 79202486
5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 79202693
3-(2-methoxypropan-2-yl)-5-(1-phenylprop-2-enyl)-1,2,4-oxadiazole
CID 167788716
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 55137085
5-(2H-indazol-3-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 71858173
4-[(2R)-2-amino-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905754
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 43102262
1-phenyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62551888
2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 79201638

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The IUPAC name of 2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine (CID 79202062) is 2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine.
What is the SMILES notation for 2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The canonical SMILES for 2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine is COC(C)(C)c1noc(CC(N)c2ccccc2)n1.
What is the InChIKey of 2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The InChIKey is KZNSOGFRBHIYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,18-3)13-16-12(19-17-13)9-11(15)10-7-5-4-6-8-10/h4-8,11H,9,15H2,1-3H3.
What are the key properties of 2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine has a molecular weight of 261.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine is sourced from PubChem (CID 79202062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).