(2S)-1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenoxypropan-1-one

C22H22FN3O3 — CID 93492625

IUPAC(2S)-1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenoxypropan-1-one
SMILESC[C@H](Oc1ccccc1)C(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C22H22FN3O3/c1-15(28-19-5-3-2-4-6-19)22(27)26-13-11-17(12-14-26)21-25-24-20(29-21)16-7-9-18(23)10-8-16/h2-10,15,17H,11-14H2,1H3/t15-/m0/s1
InChIKeyBWFHXDSSGQHIKR-HNNXBMFYSA-N
MW395.43 g/mol
LogP4.05
Rot. Bonds5

About (2S)-1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenoxypropan-1-one

(2S)-1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenoxypropan-1-one (PubChem CID 93492625) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is (2S)-1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenoxypropan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenoxypropan-1-one
PubChem CID93492625
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name(2S)-1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenoxypropan-1-one
SMILESC[C@H](Oc1ccccc1)C(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C22H22FN3O3/c1-15(28-19-5-3-2-4-6-19)22(27)26-13-11-17(12-14-26)21-25-24-20(29-21)16-7-9-18(23)10-8-16/h2-10,15,17H,11-14H2,1H3/t15-/m0/s1
InChIKeyBWFHXDSSGQHIKR-HNNXBMFYSA-N
XLogP4.05
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenoxypropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenoxypropan-1-one?
The IUPAC name of (2S)-1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenoxypropan-1-one (CID 93492625) is (2S)-1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenoxypropan-1-one.
What is the SMILES notation for (2S)-1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenoxypropan-1-one?
The canonical SMILES for (2S)-1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenoxypropan-1-one is C[C@H](Oc1ccccc1)C(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1.
What is the InChIKey of (2S)-1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenoxypropan-1-one?
The InChIKey is BWFHXDSSGQHIKR-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-15(28-19-5-3-2-4-6-19)22(27)26-13-11-17(12-14-26)21-25-24-20(29-21)16-7-9-18(23)10-8-16/h2-10,15,17H,11-14H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenoxypropan-1-one?
(2S)-1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenoxypropan-1-one has a molecular weight of 395.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenoxypropan-1-one is sourced from PubChem (CID 93492625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).