1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one

C23H24FN3O3 — CID 91907942

IUPAC1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(c2noc(COc3ccccc3F)n2)C1
InChIInChI=1S/C23H24FN3O3/c24-19-10-4-5-11-20(19)29-16-21-25-23(26-30-21)18-9-6-14-27(15-18)22(28)13-12-17-7-2-1-3-8-17/h1-5,7-8,10-11,18H,6,9,12-16H2
InChIKeyOULCIOSCQQTDSA-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.13
Rot. Bonds7

About 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one

1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 91907942) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID91907942
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(c2noc(COc3ccccc3F)n2)C1
InChIInChI=1S/C23H24FN3O3/c24-19-10-4-5-11-20(19)29-16-21-25-23(26-30-21)18-9-6-14-27(15-18)22(28)13-12-17-7-2-1-3-8-17/h1-5,7-8,10-11,18H,6,9,12-16H2
InChIKeyOULCIOSCQQTDSA-UHFFFAOYSA-N
XLogP4.13
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 16188543
CID 16188543
CID 16191124
CID 16191124
CID 44316844
CID 44316844
CID 91918505
CID 91918505
CID 118712644
CID 118712644
CID 68689913
CID 68689913
CID 91907945
CID 91907945
CID 91918563
CID 91918563
CID 91918564
CID 91918564
CID 91809961
CID 91809961
CID 91888755
CID 91888755
CID 91906452
CID 91906452

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one (CID 91907942) is 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCCC(c2noc(COc3ccccc3F)n2)C1.
What is the InChIKey of 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is OULCIOSCQQTDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c24-19-10-4-5-11-20(19)29-16-21-25-23(26-30-21)18-9-6-14-27(15-18)22(28)13-12-17-7-2-1-3-8-17/h1-5,7-8,10-11,18H,6,9,12-16H2.
What are the key properties of 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one?
1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 409.46 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 91907942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).