N-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine

C10H19N3O2 — CID 62336676

IUPACN-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine
SMILESCCCc1nc(COCCNCC)no1
InChIInChI=1S/C10H19N3O2/c1-3-5-10-12-9(13-15-10)8-14-7-6-11-4-2/h11H,3-8H2,1-2H3
InChIKeyDDPYFMUDAPYPQW-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.15
Rot. Bonds8

About N-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine

N-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine (PubChem CID 62336676) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine
PubChem CID62336676
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine
SMILESCCCc1nc(COCCNCC)no1
InChIInChI=1S/C10H19N3O2/c1-3-5-10-12-9(13-15-10)8-14-7-6-11-4-2/h11H,3-8H2,1-2H3
InChIKeyDDPYFMUDAPYPQW-UHFFFAOYSA-N
XLogP1.15
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.15
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-propyl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine
CID 62336858
N-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine
CID 62337220
N-benzyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine
CID 114782959
5-propyl-3-(2-pyrrolidin-3-ylethoxymethyl)-1,2,4-oxadiazole
CID 114796047
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-ethylethanamine
CID 62336678
N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 79275524
3-(piperidin-4-ylmethoxymethyl)-5-propyl-1,2,4-oxadiazole
CID 55060613
N-ethyl-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350659
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 79077361
N-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 103472622
N-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 104880637

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine?
The IUPAC name of N-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine (CID 62336676) is N-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine.
What is the SMILES notation for N-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine?
The canonical SMILES for N-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine is CCCc1nc(COCCNCC)no1.
What is the InChIKey of N-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine?
The InChIKey is DDPYFMUDAPYPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-3-5-10-12-9(13-15-10)8-14-7-6-11-4-2/h11H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine?
N-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine has a molecular weight of 213.28 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine is sourced from PubChem (CID 62336676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).