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

C17H20FN3O3 — CID 99838329

IUPAC1-[(2R)-1-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one
SMILESC[C@H](Cc1nc(COc2ccc(F)cc2)no1)N1CCCCC1=O
InChIInChI=1S/C17H20FN3O3/c1-12(21-9-3-2-4-17(21)22)10-16-19-15(20-24-16)11-23-14-7-5-13(18)6-8-14/h5-8,12H,2-4,9-11H2,1H3/t12-/m1/s1
InChIKeyUKTPPZAJEFALBY-GFCCVEGCSA-N
MW333.36 g/mol
LogP2.73
Rot. Bonds6

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

1-[(2R)-1-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one (PubChem CID 99838329) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-[(2R)-1-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2R)-1-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one
PubChem CID99838329
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-[(2R)-1-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one
SMILESC[C@H](Cc1nc(COc2ccc(F)cc2)no1)N1CCCCC1=O
InChIInChI=1S/C17H20FN3O3/c1-12(21-9-3-2-4-17(21)22)10-16-19-15(20-24-16)11-23-14-7-5-13(18)6-8-14/h5-8,12H,2-4,9-11H2,1H3/t12-/m1/s1
InChIKeyUKTPPZAJEFALBY-GFCCVEGCSA-N
XLogP2.73
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-1-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one with MolForge

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Related Compounds

5-(azepan-1-ylmethyl)-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 86916726
1-[1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethanol
CID 111113774
3-[(4-fluorophenoxy)methyl]-5-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 87022085
(2S)-2-amino-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120842810
[4-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 42941292
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 42095742
4-[[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]methyl]benzonitrile
CID 86869618
(2S)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277767
(2R)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277768
[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
CID 46544854
[1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol
CID 134043042
3-[(4-fluorophenoxy)methyl]-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 97238225

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one?
The IUPAC name of 1-[(2R)-1-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one (CID 99838329) is 1-[(2R)-1-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one.
What is the SMILES notation for 1-[(2R)-1-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one?
The canonical SMILES for 1-[(2R)-1-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one is C[C@H](Cc1nc(COc2ccc(F)cc2)no1)N1CCCCC1=O.
What is the InChIKey of 1-[(2R)-1-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one?
The InChIKey is UKTPPZAJEFALBY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-12(21-9-3-2-4-17(21)22)10-16-19-15(20-24-16)11-23-14-7-5-13(18)6-8-14/h5-8,12H,2-4,9-11H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(2R)-1-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one?
1-[(2R)-1-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one has a molecular weight of 333.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]piperidin-2-one is sourced from PubChem (CID 99838329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).