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

C15H19N3O2 — CID 65328987

IUPAC1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
SMILESCC(N)(c1ccccc1)c1nc(C2CCOCC2)no1
InChIInChI=1S/C15H19N3O2/c1-15(16,12-5-3-2-4-6-12)14-17-13(18-20-14)11-7-9-19-10-8-11/h2-6,11H,7-10,16H2,1H3
InChIKeyXHAHPZWDEHQUKO-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.19
Rot. Bonds3

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

1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine (PubChem CID 65328987) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine.

Molecular Properties

Compound Name1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
PubChem CID65328987
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
SMILESCC(N)(c1ccccc1)c1nc(C2CCOCC2)no1
InChIInChI=1S/C15H19N3O2/c1-15(16,12-5-3-2-4-6-12)14-17-13(18-20-14)11-7-9-19-10-8-11/h2-6,11H,7-10,16H2,1H3
InChIKeyXHAHPZWDEHQUKO-UHFFFAOYSA-N
XLogP2.19
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The IUPAC name of 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine (CID 65328987) is 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine.
What is the SMILES notation for 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The canonical SMILES for 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine is CC(N)(c1ccccc1)c1nc(C2CCOCC2)no1.
What is the InChIKey of 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The InChIKey is XHAHPZWDEHQUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(16,12-5-3-2-4-6-12)14-17-13(18-20-14)11-7-9-19-10-8-11/h2-6,11H,7-10,16H2,1H3.
What are the key properties of 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine has a molecular weight of 273.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine is sourced from PubChem (CID 65328987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).