4-[4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine

C18H17FN4O2 — CID 53133386

IUPAC4-[4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
SMILESCc1ccc(-c2nc(-c3ccnc(N4CCOCC4)c3)no2)cc1F
InChIInChI=1S/C18H17FN4O2/c1-12-2-3-14(10-15(12)19)18-21-17(22-25-18)13-4-5-20-16(11-13)23-6-8-24-9-7-23/h2-5,10-11H,6-9H2,1H3
InChIKeyGTFMYLPLOVFPRR-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.08
Rot. Bonds3

About 4-[4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine

4-[4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 53133386) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 4-[4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
PubChem CID53133386
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name4-[4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
SMILESCc1ccc(-c2nc(-c3ccnc(N4CCOCC4)c3)no2)cc1F
InChIInChI=1S/C18H17FN4O2/c1-12-2-3-14(10-15(12)19)18-21-17(22-25-18)13-4-5-20-16(11-13)23-6-8-24-9-7-23/h2-5,10-11H,6-9H2,1H3
InChIKeyGTFMYLPLOVFPRR-UHFFFAOYSA-N
XLogP3.08
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]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-[4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine (CID 53133386) is 4-[4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine is Cc1ccc(-c2nc(-c3ccnc(N4CCOCC4)c3)no2)cc1F.
What is the InChIKey of 4-[4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is GTFMYLPLOVFPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-12-2-3-14(10-15(12)19)18-21-17(22-25-18)13-4-5-20-16(11-13)23-6-8-24-9-7-23/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-[4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
4-[4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 340.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 53133386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).