4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide

C27H22F2N4O3 — CID 53131838

IUPAC4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(-c2noc(C3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1
InChIInChI=1S/C27H22F2N4O3/c28-21-10-8-20(9-11-21)27(35)33-14-12-19(13-15-33)26-31-24(32-36-26)17-4-6-18(7-5-17)25(34)30-23-3-1-2-22(29)16-23/h1-11,16,19H,12-15H2,(H,30,34)
InChIKeyJCALQNSUZKCEGR-UHFFFAOYSA-N
MW488.49 g/mol
LogP5.29
Rot. Bonds5

About 4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide

4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide (PubChem CID 53131838) has the molecular formula C27H22F2N4O3 and a molecular weight of 488.49 g/mol. Its IUPAC name is 4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide
PubChem CID53131838
Molecular FormulaC27H22F2N4O3
Molecular Weight488.49 g/mol
Exact Mass488.17
IUPAC Name4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(-c2noc(C3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1
InChIInChI=1S/C27H22F2N4O3/c28-21-10-8-20(9-11-21)27(35)33-14-12-19(13-15-33)26-31-24(32-36-26)17-4-6-18(7-5-17)25(34)30-23-3-1-2-22(29)16-23/h1-11,16,19H,12-15H2,(H,30,34)
InChIKeyJCALQNSUZKCEGR-UHFFFAOYSA-N
XLogP5.29
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.49
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50767516
(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53032681
N-[3-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 53130324
4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide
CID 53131857
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50779153
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769479
N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide
CID 53057007
[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 46096481
N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 56526384
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-nitrophenyl)methanone
CID 4010347
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 42760899
N-(3,5-dimethylphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769376

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide?
The IUPAC name of 4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide (CID 53131838) is 4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide is O=C(Nc1cccc(F)c1)c1ccc(-c2noc(C3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1.
What is the InChIKey of 4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide?
The InChIKey is JCALQNSUZKCEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F2N4O3/c28-21-10-8-20(9-11-21)27(35)33-14-12-19(13-15-33)26-31-24(32-36-26)17-4-6-18(7-5-17)25(34)30-23-3-1-2-22(29)16-23/h1-11,16,19H,12-15H2,(H,30,34).
What are the key properties of 4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide?
4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide has a molecular weight of 488.49 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 53131838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).