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

C15H20N4O2 — CID 79071714

IUPAC1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESCN1CCOC(c2noc(C(N)Cc3ccccc3)n2)C1
InChIInChI=1S/C15H20N4O2/c1-19-7-8-20-13(10-19)14-17-15(21-18-14)12(16)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10,16H2,1H3
InChIKeyYTRLMQUEUWLWKE-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.32
Rot. Bonds4

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

1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (PubChem CID 79071714) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.

Molecular Properties

Compound Name1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
PubChem CID79071714
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESCN1CCOC(c2noc(C(N)Cc3ccccc3)n2)C1
InChIInChI=1S/C15H20N4O2/c1-19-7-8-20-13(10-19)14-17-15(21-18-14)12(16)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10,16H2,1H3
InChIKeyYTRLMQUEUWLWKE-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 1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The IUPAC name of 1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (CID 79071714) is 1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.
What is the SMILES notation for 1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The canonical SMILES for 1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is CN1CCOC(c2noc(C(N)Cc3ccccc3)n2)C1.
What is the InChIKey of 1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The InChIKey is YTRLMQUEUWLWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-19-7-8-20-13(10-19)14-17-15(21-18-14)12(16)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10,16H2,1H3.
What are the key properties of 1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-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 1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is sourced from PubChem (CID 79071714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).