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

C7H13N3O2 — CID 61412753

IUPAC2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOCCc1noc(CCN)n1
InChIInChI=1S/C7H13N3O2/c1-11-5-3-6-9-7(2-4-8)12-10-6/h2-5,8H2,1H3
InChIKeyVXBMCMXQXKCFPY-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.24
Rot. Bonds5

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

2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 61412753) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID61412753
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOCCc1noc(CCN)n1
InChIInChI=1S/C7H13N3O2/c1-11-5-3-6-9-7(2-4-8)12-10-6/h2-5,8H2,1H3
InChIKeyVXBMCMXQXKCFPY-UHFFFAOYSA-N
XLogP-0.24
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 61412753) is 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine is COCCc1noc(CCN)n1.
What is the InChIKey of 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is VXBMCMXQXKCFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-11-5-3-6-9-7(2-4-8)12-10-6/h2-5,8H2,1H3.
What are the key properties of 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 171.20 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 61412753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).