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

C22H22FN3O2 — CID 68522779

IUPAC(4-fluorophenyl)-[3-[5-[(1S)-1-phenylethyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESC[C@@H](c1ccccc1)c1nc(C2CCCN(C(=O)c3ccc(F)cc3)C2)no1
InChIInChI=1S/C22H22FN3O2/c1-15(16-6-3-2-4-7-16)21-24-20(25-28-21)18-8-5-13-26(14-18)22(27)17-9-11-19(23)12-10-17/h2-4,6-7,9-12,15,18H,5,8,13-14H2,1H3/t15-,18?/m0/s1
InChIKeyOGLUZYAARIAUIK-BUSXIPJBSA-N
MW379.44 g/mol
LogP4.38
Rot. Bonds4

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

(4-fluorophenyl)-[3-[5-[(1S)-1-phenylethyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 68522779) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-[5-[(1S)-1-phenylethyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-[5-[(1S)-1-phenylethyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID68522779
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name(4-fluorophenyl)-[3-[5-[(1S)-1-phenylethyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESC[C@@H](c1ccccc1)c1nc(C2CCCN(C(=O)c3ccc(F)cc3)C2)no1
InChIInChI=1S/C22H22FN3O2/c1-15(16-6-3-2-4-7-16)21-24-20(25-28-21)18-8-5-13-26(14-18)22(27)17-9-11-19(23)12-10-17/h2-4,6-7,9-12,15,18H,5,8,13-14H2,1H3/t15-,18?/m0/s1
InChIKeyOGLUZYAARIAUIK-BUSXIPJBSA-N
XLogP4.38
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

[3-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
CID 59140444
(2R)-2-phenyl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 95734769
[(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 92569740
[3-[5-(4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 70986997
furan-2-yl-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734780
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221984
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221983
(4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 120960207
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
(4-fluorophenyl)-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456768
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
(3,4-difluorophenyl)-[3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 68526656

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-[5-[(1S)-1-phenylethyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-[5-[(1S)-1-phenylethyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 68522779) is (4-fluorophenyl)-[3-[5-[(1S)-1-phenylethyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-[5-[(1S)-1-phenylethyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-[5-[(1S)-1-phenylethyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is C[C@@H](c1ccccc1)c1nc(C2CCCN(C(=O)c3ccc(F)cc3)C2)no1.
What is the InChIKey of (4-fluorophenyl)-[3-[5-[(1S)-1-phenylethyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is OGLUZYAARIAUIK-BUSXIPJBSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-15(16-6-3-2-4-7-16)21-24-20(25-28-21)18-8-5-13-26(14-18)22(27)17-9-11-19(23)12-10-17/h2-4,6-7,9-12,15,18H,5,8,13-14H2,1H3/t15-,18?/m0/s1.
What are the key properties of (4-fluorophenyl)-[3-[5-[(1S)-1-phenylethyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[3-[5-[(1S)-1-phenylethyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 379.44 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-[5-[(1S)-1-phenylethyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 68522779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).