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

C10H17N3O3 — CID 116703530

IUPAC2-[[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
SMILESCOC(c1noc(COCCN)n1)C1CC1
InChIInChI=1S/C10H17N3O3/c1-14-9(7-2-3-7)10-12-8(16-13-10)6-15-5-4-11/h7,9H,2-6,11H2,1H3
InChIKeyQTMUNLNUWIFGON-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.64
Rot. Bonds7

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

2-[[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine (PubChem CID 116703530) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine.

Molecular Properties

Compound Name2-[[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
PubChem CID116703530
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-[[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
SMILESCOC(c1noc(COCCN)n1)C1CC1
InChIInChI=1S/C10H17N3O3/c1-14-9(7-2-3-7)10-12-8(16-13-10)6-15-5-4-11/h7,9H,2-6,11H2,1H3
InChIKeyQTMUNLNUWIFGON-UHFFFAOYSA-N
XLogP0.64
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine?
The IUPAC name of 2-[[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine (CID 116703530) is 2-[[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine.
What is the SMILES notation for 2-[[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine?
The canonical SMILES for 2-[[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine is COC(c1noc(COCCN)n1)C1CC1.
What is the InChIKey of 2-[[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine?
The InChIKey is QTMUNLNUWIFGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-14-9(7-2-3-7)10-12-8(16-13-10)6-15-5-4-11/h7,9H,2-6,11H2,1H3.
What are the key properties of 2-[[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine?
2-[[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine has a molecular weight of 227.26 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine is sourced from PubChem (CID 116703530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).