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

C22H24FN3O2 — CID 138674498

IUPAC4-[[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine
SMILESFc1ccccc1-c1ccc(CCCc2nc(CN3CCOCC3)no2)cc1
InChIInChI=1S/C22H24FN3O2/c23-20-6-2-1-5-19(20)18-10-8-17(9-11-18)4-3-7-22-24-21(25-28-22)16-26-12-14-27-15-13-26/h1-2,5-6,8-11H,3-4,7,12-16H2
InChIKeyVZZAIFGRTJZGKA-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.88
Rot. Bonds7

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

4-[[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine (PubChem CID 138674498) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 4-[[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine
PubChem CID138674498
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name4-[[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine
SMILESFc1ccccc1-c1ccc(CCCc2nc(CN3CCOCC3)no2)cc1
InChIInChI=1S/C22H24FN3O2/c23-20-6-2-1-5-19(20)18-10-8-17(9-11-18)4-3-7-22-24-21(25-28-22)16-26-12-14-27-15-13-26/h1-2,5-6,8-11H,3-4,7,12-16H2
InChIKeyVZZAIFGRTJZGKA-UHFFFAOYSA-N
XLogP3.88
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]methyl]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-[[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine (CID 138674498) is 4-[[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine is Fc1ccccc1-c1ccc(CCCc2nc(CN3CCOCC3)no2)cc1.
What is the InChIKey of 4-[[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine?
The InChIKey is VZZAIFGRTJZGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-20-6-2-1-5-19(20)18-10-8-17(9-11-18)4-3-7-22-24-21(25-28-22)16-26-12-14-27-15-13-26/h1-2,5-6,8-11H,3-4,7,12-16H2.
What are the key properties of 4-[[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine?
4-[[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine has a molecular weight of 381.45 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,2,4-oxadiazol-3-yl]methyl]morpholine is sourced from PubChem (CID 138674498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).