2-methoxy-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C10H19N3O3 — CID 116740372

IUPAC2-methoxy-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCC(C)(OC)c1noc(C(N)COC)n1
InChIInChI=1S/C10H19N3O3/c1-5-10(2,15-4)9-12-8(16-13-9)7(11)6-14-3/h7H,5-6,11H2,1-4H3
InChIKeyMVQFGWFOECITNQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.99
Rot. Bonds6

About 2-methoxy-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

2-methoxy-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 116740372) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-methoxy-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-methoxy-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID116740372
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-methoxy-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCC(C)(OC)c1noc(C(N)COC)n1
InChIInChI=1S/C10H19N3O3/c1-5-10(2,15-4)9-12-8(16-13-9)7(11)6-14-3/h7H,5-6,11H2,1-4H3
InChIKeyMVQFGWFOECITNQ-UHFFFAOYSA-N
XLogP0.99
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine
CID 116740750
2-methoxy-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 81084381
(1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565588
1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116780588
(1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909639
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine
CID 81077764
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 116807974
1,1,1-trifluoro-3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116780584
2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106527228
1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116741092
1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 116740268
2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116740555

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-methoxy-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 116740372) is 2-methoxy-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-methoxy-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-methoxy-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is CCC(C)(OC)c1noc(C(N)COC)n1.
What is the InChIKey of 2-methoxy-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is MVQFGWFOECITNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-5-10(2,15-4)9-12-8(16-13-9)7(11)6-14-3/h7H,5-6,11H2,1-4H3.
What are the key properties of 2-methoxy-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-methoxy-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 229.28 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 116740372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).