2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine

C15H19N3O2 — CID 65332273

IUPAC2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESNCC(c1ccccc1)c1nc(C2CCCOC2)no1
InChIInChI=1S/C15H19N3O2/c16-9-13(11-5-2-1-3-6-11)15-17-14(18-20-15)12-7-4-8-19-10-12/h1-3,5-6,12-13H,4,7-10,16H2
InChIKeyKMXLKMQOPMPYJR-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.05
Rot. Bonds4

About 2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine

2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (PubChem CID 65332273) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.

Molecular Properties

Compound Name2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
PubChem CID65332273
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESNCC(c1ccccc1)c1nc(C2CCCOC2)no1
InChIInChI=1S/C15H19N3O2/c16-9-13(11-5-2-1-3-6-11)15-17-14(18-20-15)12-7-4-8-19-10-12/h1-3,5-6,12-13H,4,7-10,16H2
InChIKeyKMXLKMQOPMPYJR-UHFFFAOYSA-N
XLogP2.05
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109266
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-(4-fluorophenyl)ethanamine
CID 120837814
2-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80620615
(1S)-1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565376
5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine
CID 65416623
ethyl 2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79474608
2-phenyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62884547
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 116807937
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride
CID 119948094
5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(oxan-3-yl)-1,2,4-oxadiazole
CID 80575396
(R)-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898686
1,1,1-trifluoro-3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65333737

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The IUPAC name of 2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (CID 65332273) is 2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.
What is the SMILES notation for 2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The canonical SMILES for 2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is NCC(c1ccccc1)c1nc(C2CCCOC2)no1.
What is the InChIKey of 2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The InChIKey is KMXLKMQOPMPYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-9-13(11-5-2-1-3-6-11)15-17-14(18-20-15)12-7-4-8-19-10-12/h1-3,5-6,12-13H,4,7-10,16H2.
What are the key properties of 2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine has a molecular weight of 273.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is sourced from PubChem (CID 65332273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).