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

C15H20N4O2 — CID 79071831

IUPAC2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
SMILESCN1CCOC(c2noc(CC(N)c3ccccc3)n2)C1
InChIInChI=1S/C15H20N4O2/c1-19-7-8-20-13(10-19)15-17-14(21-18-15)9-12(16)11-5-3-2-4-6-11/h2-6,12-13H,7-10,16H2,1H3
InChIKeyBYAWLJYMOFRVLH-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.32
Rot. Bonds4

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

2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine (PubChem CID 79071831) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine.

Molecular Properties

Compound Name2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
PubChem CID79071831
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
SMILESCN1CCOC(c2noc(CC(N)c3ccccc3)n2)C1
InChIInChI=1S/C15H20N4O2/c1-19-7-8-20-13(10-19)15-17-14(21-18-15)9-12(16)11-5-3-2-4-6-11/h2-6,12-13H,7-10,16H2,1H3
InChIKeyBYAWLJYMOFRVLH-UHFFFAOYSA-N
XLogP1.32
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The IUPAC name of 2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine (CID 79071831) is 2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine.
What is the SMILES notation for 2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The canonical SMILES for 2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine is CN1CCOC(c2noc(CC(N)c3ccccc3)n2)C1.
What is the InChIKey of 2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The InChIKey is BYAWLJYMOFRVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-19-7-8-20-13(10-19)15-17-14(21-18-15)9-12(16)11-5-3-2-4-6-11/h2-6,12-13H,7-10,16H2,1H3.
What are the key properties of 2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine has a molecular weight of 288.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine is sourced from PubChem (CID 79071831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).