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

C7H13N3O2 — CID 62589330

IUPAC1-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOCCc1nc(C(C)N)no1
InChIInChI=1S/C7H13N3O2/c1-5(8)7-9-6(12-10-7)3-4-11-2/h5H,3-4,8H2,1-2H3
InChIKeyMAQJERLKVJKWAF-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.28
Rot. Bonds4

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

1-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 62589330) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID62589330
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name1-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOCCc1nc(C(C)N)no1
InChIInChI=1S/C7H13N3O2/c1-5(8)7-9-6(12-10-7)3-4-11-2/h5H,3-4,8H2,1-2H3
InChIKeyMAQJERLKVJKWAF-UHFFFAOYSA-N
XLogP0.28
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325608
5-(2-methoxyethyl)-1,2,4-oxadiazol-3-amine
CID 63692228
1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 112603748
1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104880073
1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 103557972
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61412753
2-ethoxy-1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633999
1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61324180
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 25220842
1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63350060
1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61326226
1-[5-(3-methoxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634267

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 62589330) is 1-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine is COCCc1nc(C(C)N)no1.
What is the InChIKey of 1-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is MAQJERLKVJKWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-5(8)7-9-6(12-10-7)3-4-11-2/h5H,3-4,8H2,1-2H3.
What are the key properties of 1-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 171.20 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 62589330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).