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

C6H11N3O2 — CID 25219494

IUPAC[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOCCc1noc(CN)n1
InChIInChI=1S/C6H11N3O2/c1-10-3-2-5-8-6(4-7)11-9-5/h2-4,7H2,1H3
InChIKeyVBTBHNJQCHTJIQ-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.28
Rot. Bonds4

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

[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 25219494) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is [3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID25219494
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOCCc1noc(CN)n1
InChIInChI=1S/C6H11N3O2/c1-10-3-2-5-8-6(4-7)11-9-5/h2-4,7H2,1H3
InChIKeyVBTBHNJQCHTJIQ-UHFFFAOYSA-N
XLogP-0.28
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 25219494) is [3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine is COCCc1noc(CN)n1.
What is the InChIKey of [3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is VBTBHNJQCHTJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-10-3-2-5-8-6(4-7)11-9-5/h2-4,7H2,1H3.
What are the key properties of [3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 157.17 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 [3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 25219494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).