1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine

C15H20N4O2 — CID 104635682

IUPAC1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
SMILESNC(CN1CCCC1)c1noc(COc2ccccc2)n1
InChIInChI=1S/C15H20N4O2/c16-13(10-19-8-4-5-9-19)15-17-14(21-18-15)11-20-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,16H2
InChIKeyVSEDWOHZSTZEEG-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.74
Rot. Bonds6

About 1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine

1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine (PubChem CID 104635682) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
PubChem CID104635682
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
SMILESNC(CN1CCCC1)c1noc(COc2ccccc2)n1
InChIInChI=1S/C15H20N4O2/c16-13(10-19-8-4-5-9-19)15-17-14(21-18-15)11-20-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,16H2
InChIKeyVSEDWOHZSTZEEG-UHFFFAOYSA-N
XLogP1.74
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633124
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 104635994
2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323826
1-(5-ethoxy-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
CID 104635764
1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 104635946
2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636166
2-morpholin-4-yl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104636155
1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 104636055
1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
CID 104635871
2-piperidin-1-yl-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104635977
1-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 103121999
1-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 106689495

Frequently Asked Questions

What is the IUPAC name of 1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine (CID 104635682) is 1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine is NC(CN1CCCC1)c1noc(COc2ccccc2)n1.
What is the InChIKey of 1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is VSEDWOHZSTZEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-13(10-19-8-4-5-9-19)15-17-14(21-18-15)11-20-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,16H2.
What are the key properties of 1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine?
1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 288.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 104635682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).