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

C9H16N4O2 — CID 116806808

IUPAC2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine
SMILESNCCOCc1nc(N2CCCC2)no1
InChIInChI=1S/C9H16N4O2/c10-3-6-14-7-8-11-9(12-15-8)13-4-1-2-5-13/h1-7,10H2
InChIKeyZQIJMCIEZDLPRK-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.15
Rot. Bonds5

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

2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine (PubChem CID 116806808) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine.

Molecular Properties

Compound Name2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine
PubChem CID116806808
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine
SMILESNCCOCc1nc(N2CCCC2)no1
InChIInChI=1S/C9H16N4O2/c10-3-6-14-7-8-11-9(12-15-8)13-4-1-2-5-13/h1-7,10H2
InChIKeyZQIJMCIEZDLPRK-UHFFFAOYSA-N
XLogP0.15
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.15
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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Related Compounds

O-[[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 116807957
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83618709
1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
CID 116806939
2-methoxy-3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 103157980
acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151189
2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)acetonitrile
CID 106527584
2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 116806750
2-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 116701492
[2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
CID 116807107
3-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807044
1,1,1-trifluoro-3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 116808754
1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116808912

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine?
The IUPAC name of 2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine (CID 116806808) is 2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine.
What is the SMILES notation for 2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine?
The canonical SMILES for 2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine is NCCOCc1nc(N2CCCC2)no1.
What is the InChIKey of 2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine?
The InChIKey is ZQIJMCIEZDLPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c10-3-6-14-7-8-11-9(12-15-8)13-4-1-2-5-13/h1-7,10H2.
What are the key properties of 2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine?
2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine has a molecular weight of 212.25 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine is sourced from PubChem (CID 116806808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).