4-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine

C16H19F2N3O2 — CID 154631714

IUPAC4-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine
SMILESFc1ccc(-c2noc(CCCCN3CCOCC3)n2)cc1F
InChIInChI=1S/C16H19F2N3O2/c17-13-5-4-12(11-14(13)18)16-19-15(23-20-16)3-1-2-6-21-7-9-22-10-8-21/h4-5,11H,1-3,6-10H2
InChIKeyOAYYQPLHGQOQCN-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.67
Rot. Bonds6

About 4-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine

4-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine (PubChem CID 154631714) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is 4-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine
PubChem CID154631714
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name4-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine
SMILESFc1ccc(-c2noc(CCCCN3CCOCC3)n2)cc1F
InChIInChI=1S/C16H19F2N3O2/c17-13-5-4-12(11-14(13)18)16-19-15(23-20-16)3-1-2-6-21-7-9-22-10-8-21/h4-5,11H,1-3,6-10H2
InChIKeyOAYYQPLHGQOQCN-UHFFFAOYSA-N
XLogP2.67
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine
CID 154393200
4-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine
CID 154631723
3-(3,4-dichlorophenyl)-5-(4-pyrrolidin-1-ylbutyl)-1,2,4-oxadiazole
CID 154631731
3-(3,4-dichlorophenyl)-5-(4-piperidin-1-ylbutyl)-1,2,4-oxadiazole
CID 154631709
5-(2-chloroethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole
CID 43658624
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 43658638
3-(3-fluoro-4-methylphenyl)-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2,4-oxadiazole
CID 51339767
5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82846767
[3-(3-fluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117445862
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 42809096
5-(azetidin-3-ylmethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole
CID 64610434
1-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111036173

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine?
The IUPAC name of 4-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine (CID 154631714) is 4-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine.
What is the SMILES notation for 4-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine?
The canonical SMILES for 4-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine is Fc1ccc(-c2noc(CCCCN3CCOCC3)n2)cc1F.
What is the InChIKey of 4-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine?
The InChIKey is OAYYQPLHGQOQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c17-13-5-4-12(11-14(13)18)16-19-15(23-20-16)3-1-2-6-21-7-9-22-10-8-21/h4-5,11H,1-3,6-10H2.
What are the key properties of 4-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine?
4-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine has a molecular weight of 323.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine is sourced from PubChem (CID 154631714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).