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

C16H18FN3O2 — CID 75475174

IUPAC3-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]morpholine
SMILESFc1cccc(C2(c3nc(C4COCCN4)no3)CCC2)c1
InChIInChI=1S/C16H18FN3O2/c17-12-4-1-3-11(9-12)16(5-2-6-16)15-19-14(20-22-15)13-10-21-8-7-18-13/h1,3-4,9,13,18H,2,5-8,10H2
InChIKeyDSKVGAIFPCYMDO-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.34
Rot. Bonds3

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

3-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 75475174) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name3-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID75475174
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name3-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]morpholine
SMILESFc1cccc(C2(c3nc(C4COCCN4)no3)CCC2)c1
InChIInChI=1S/C16H18FN3O2/c17-12-4-1-3-11(9-12)16(5-2-6-16)15-19-14(20-22-15)13-10-21-8-7-18-13/h1,3-4,9,13,18H,2,5-8,10H2
InChIKeyDSKVGAIFPCYMDO-UHFFFAOYSA-N
XLogP2.34
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 3-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]morpholine (CID 75475174) is 3-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 3-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 3-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]morpholine is Fc1cccc(C2(c3nc(C4COCCN4)no3)CCC2)c1.
What is the InChIKey of 3-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is DSKVGAIFPCYMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c17-12-4-1-3-11(9-12)16(5-2-6-16)15-19-14(20-22-15)13-10-21-8-7-18-13/h1,3-4,9,13,18H,2,5-8,10H2.
What are the key properties of 3-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]morpholine?
3-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 303.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 75475174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).