5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole

C19H18FN3O — CID 50769550

IUPAC5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
SMILESFc1cccc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)c1
InChIInChI=1S/C19H18FN3O/c20-16-6-4-5-15(13-16)19-21-18(22-24-19)14-7-9-17(10-8-14)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12H2
InChIKeyBFEMUQNRSUCPIA-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.53
Rot. Bonds3

About 5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole

5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole (PubChem CID 50769550) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
PubChem CID50769550
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
SMILESFc1cccc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)c1
InChIInChI=1S/C19H18FN3O/c20-16-6-4-5-15(13-16)19-21-18(22-24-19)14-7-9-17(10-8-14)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12H2
InChIKeyBFEMUQNRSUCPIA-UHFFFAOYSA-N
XLogP4.53
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769361
3-(3-fluorophenyl)-5-(2-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 155941594
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
ethane;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 143910207
N,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 50769624
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 50828707
3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 53037161
5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769641
5-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-1,2,4-oxadiazole
CID 46342013
5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole
CID 160804234
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 50828762
2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one
CID 167862827

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole (CID 50769550) is 5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole is Fc1cccc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole?
The InChIKey is BFEMUQNRSUCPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-16-6-4-5-15(13-16)19-21-18(22-24-19)14-7-9-17(10-8-14)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12H2.
What are the key properties of 5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole?
5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 323.37 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 50769550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).