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

C12H12FN3O2 — CID 14452065

IUPAC4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESFc1ccccc1-c1noc(N2CCOCC2)n1
InChIInChI=1S/C12H12FN3O2/c13-10-4-2-1-3-9(10)11-14-12(18-15-11)16-5-7-17-8-6-16/h1-4H,5-8H2
InChIKeyPBCQXQVPGFGEID-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.71
Rot. Bonds2

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

4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 14452065) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID14452065
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESFc1ccccc1-c1noc(N2CCOCC2)n1
InChIInChI=1S/C12H12FN3O2/c13-10-4-2-1-3-9(10)11-14-12(18-15-11)16-5-7-17-8-6-16/h1-4H,5-8H2
InChIKeyPBCQXQVPGFGEID-UHFFFAOYSA-N
XLogP1.71
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine (CID 14452065) is 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine is Fc1ccccc1-c1noc(N2CCOCC2)n1.
What is the InChIKey of 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is PBCQXQVPGFGEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c13-10-4-2-1-3-9(10)11-14-12(18-15-11)16-5-7-17-8-6-16/h1-4H,5-8H2.
What are the key properties of 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine?
4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 249.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 14452065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).