2-methoxy-1-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine

C10H19N3O2 — CID 104633817

IUPAC2-methoxy-1-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCCCC(C)c1nc(C(N)COC)no1
InChIInChI=1S/C10H19N3O2/c1-4-5-7(2)10-12-9(13-15-10)8(11)6-14-3/h7-8H,4-6,11H2,1-3H3
InChIKeyHNLIVNBIZAJMSJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.62
Rot. Bonds6

About 2-methoxy-1-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine

2-methoxy-1-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 104633817) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-methoxy-1-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-1-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID104633817
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-methoxy-1-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCCCC(C)c1nc(C(N)COC)no1
InChIInChI=1S/C10H19N3O2/c1-4-5-7(2)10-12-9(13-15-10)8(11)6-14-3/h7-8H,4-6,11H2,1-3H3
InChIKeyHNLIVNBIZAJMSJ-UHFFFAOYSA-N
XLogP1.62
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 102547892
2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine
CID 104633601
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630134
6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 116702190
1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)-2-propan-2-yloxyethanamine
CID 104634631
1-[5-(3-methoxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634267
2-ethoxy-1-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633955
(1R)-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565561
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633581
2-methoxy-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633580
2-methoxy-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633592
6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 65285400

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of 2-methoxy-1-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine (CID 104633817) is 2-methoxy-1-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for 2-methoxy-1-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for 2-methoxy-1-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine is CCCC(C)c1nc(C(N)COC)no1.
What is the InChIKey of 2-methoxy-1-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is HNLIVNBIZAJMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-5-7(2)10-12-9(13-15-10)8(11)6-14-3/h7-8H,4-6,11H2,1-3H3.
What are the key properties of 2-methoxy-1-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine?
2-methoxy-1-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 213.28 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 104633817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).