(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine

C16H21N3O3 — CID 97316172

IUPAC(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine
SMILESCc1nc([C@@H]2CN(CCOc3ccccc3C)CCO2)no1
InChIInChI=1S/C16H21N3O3/c1-12-5-3-4-6-14(12)20-9-7-19-8-10-21-15(11-19)16-17-13(2)22-18-16/h3-6,15H,7-11H2,1-2H3/t15-/m0/s1
InChIKeyPUPGGSMQOTWXDD-HNNXBMFYSA-N
MW303.36 g/mol
LogP2.14
Rot. Bonds5

About (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine

(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine (PubChem CID 97316172) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine
PubChem CID97316172
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine
SMILESCc1nc([C@@H]2CN(CCOc3ccccc3C)CCO2)no1
InChIInChI=1S/C16H21N3O3/c1-12-5-3-4-6-14(12)20-9-7-19-8-10-21-15(11-19)16-17-13(2)22-18-16/h3-6,15H,7-11H2,1-2H3/t15-/m0/s1
InChIKeyPUPGGSMQOTWXDD-HNNXBMFYSA-N
XLogP2.14
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine?
The IUPAC name of (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine (CID 97316172) is (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine.
What is the SMILES notation for (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine?
The canonical SMILES for (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine is Cc1nc([C@@H]2CN(CCOc3ccccc3C)CCO2)no1.
What is the InChIKey of (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine?
The InChIKey is PUPGGSMQOTWXDD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12-5-3-4-6-14(12)20-9-7-19-8-10-21-15(11-19)16-17-13(2)22-18-16/h3-6,15H,7-11H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine?
(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine has a molecular weight of 303.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[2-(2-methylphenoxy)ethyl]morpholine is sourced from PubChem (CID 97316172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).