4-[(3-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine

C19H18FN3O2 — CID 46956722

IUPAC4-[(3-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESFc1cccc(CN2CCOC(c3nc(-c4ccccc4)no3)C2)c1
InChIInChI=1S/C19H18FN3O2/c20-16-8-4-5-14(11-16)12-23-9-10-24-17(13-23)19-21-18(22-25-19)15-6-2-1-3-7-15/h1-8,11,17H,9-10,12-13H2
InChIKeyMOBYCGDDCLARIR-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.45
Rot. Bonds4

About 4-[(3-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine

4-[(3-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 46956722) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID46956722
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name4-[(3-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESFc1cccc(CN2CCOC(c3nc(-c4ccccc4)no3)C2)c1
InChIInChI=1S/C19H18FN3O2/c20-16-8-4-5-14(11-16)12-23-9-10-24-17(13-23)19-21-18(22-25-19)15-6-2-1-3-7-15/h1-8,11,17H,9-10,12-13H2
InChIKeyMOBYCGDDCLARIR-UHFFFAOYSA-N
XLogP3.45
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(3-fluorophenyl)methyl]-2-(3-phenyl-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 4-[(3-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (CID 46956722) is 4-[(3-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is Fc1cccc(CN2CCOC(c3nc(-c4ccccc4)no3)C2)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is MOBYCGDDCLARIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-16-8-4-5-14(11-16)12-23-9-10-24-17(13-23)19-21-18(22-25-19)15-6-2-1-3-7-15/h1-8,11,17H,9-10,12-13H2.
What are the key properties of 4-[(3-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
4-[(3-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 339.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 46956722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).