2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-ethylethanamine

C10H17N3O2 — CID 62336678

IUPAC2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-ethylethanamine
SMILESCCNCCOCc1nc(C2CC2)no1
InChIInChI=1S/C10H17N3O2/c1-2-11-5-6-14-7-9-12-10(13-15-9)8-3-4-8/h8,11H,2-7H2,1H3
InChIKeyJDVSHZQARRJZOJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.07
Rot. Bonds7

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

2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-ethylethanamine (PubChem CID 62336678) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-ethylethanamine
PubChem CID62336678
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-ethylethanamine
SMILESCCNCCOCc1nc(C2CC2)no1
InChIInChI=1S/C10H17N3O2/c1-2-11-5-6-14-7-9-12-10(13-15-9)8-3-4-8/h8,11H,2-7H2,1H3
InChIKeyJDVSHZQARRJZOJ-UHFFFAOYSA-N
XLogP1.07
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine
CID 62337220
N-ethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine
CID 62336858
N-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495910
O-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]hydroxylamine
CID 79427579
5-(2-methoxyethoxymethyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 86820513
N-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine
CID 62336676
N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 65424237
N-ethyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65331838
5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129493408
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride
CID 86261805
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclohexan-1-amine
CID 64571421
N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 65422880

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-ethylethanamine?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-ethylethanamine (CID 62336678) is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-ethylethanamine.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-ethylethanamine?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-ethylethanamine is CCNCCOCc1nc(C2CC2)no1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-ethylethanamine?
The InChIKey is JDVSHZQARRJZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-11-5-6-14-7-9-12-10(13-15-9)8-3-4-8/h8,11H,2-7H2,1H3.
What are the key properties of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-ethylethanamine?
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-ethylethanamine has a molecular weight of 211.26 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-ethylethanamine is sourced from PubChem (CID 62336678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).