(2S)-4-benzyl-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine

C15H19N3O3 — CID 97063160

IUPAC(2S)-4-benzyl-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESCOCc1noc([C@@H]2CN(Cc3ccccc3)CCO2)n1
InChIInChI=1S/C15H19N3O3/c1-19-11-14-16-15(21-17-14)13-10-18(7-8-20-13)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3/t13-/m0/s1
InChIKeySCJNBTAVDYVOTB-ZDUSSCGKSA-N
MW289.34 g/mol
LogP1.79
Rot. Bonds5

About (2S)-4-benzyl-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine

(2S)-4-benzyl-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 97063160) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2S)-4-benzyl-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name(2S)-4-benzyl-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID97063160
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name(2S)-4-benzyl-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESCOCc1noc([C@@H]2CN(Cc3ccccc3)CCO2)n1
InChIInChI=1S/C15H19N3O3/c1-19-11-14-16-15(21-17-14)13-10-18(7-8-20-13)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3/t13-/m0/s1
InChIKeySCJNBTAVDYVOTB-ZDUSSCGKSA-N
XLogP1.79
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-4-benzyl-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]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)-4-benzyl-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of (2S)-4-benzyl-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine (CID 97063160) is (2S)-4-benzyl-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for (2S)-4-benzyl-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for (2S)-4-benzyl-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine is COCc1noc([C@@H]2CN(Cc3ccccc3)CCO2)n1.
What is the InChIKey of (2S)-4-benzyl-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is SCJNBTAVDYVOTB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-19-11-14-16-15(21-17-14)13-10-18(7-8-20-13)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-4-benzyl-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine?
(2S)-4-benzyl-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 289.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 97063160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).