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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 79094042
1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 79071714
2-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 65353018
3-methyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79085494
(2S)-2-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 97343741
2-[2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273778
2-methoxy-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103157800
(2R)-2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 97343748
1-methoxy-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 79089489
1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79077645
2-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 79077939
3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 79962025

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).