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

C20H20FN3O — CID 50769641

IUPAC5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
SMILESFc1ccc(Cc2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1
InChIInChI=1S/C20H20FN3O/c21-17-8-4-15(5-9-17)14-19-22-20(23-25-19)16-6-10-18(11-7-16)24-12-2-1-3-13-24/h4-11H,1-3,12-14H2
InChIKeyBIRRSOQRCQJYOW-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.46
Rot. Bonds4

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

5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole (PubChem CID 50769641) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
PubChem CID50769641
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
SMILESFc1ccc(Cc2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1
InChIInChI=1S/C20H20FN3O/c21-17-8-4-15(5-9-17)14-19-22-20(23-25-19)16-6-10-18(11-7-16)24-12-2-1-3-13-24/h4-11H,1-3,12-14H2
InChIKeyBIRRSOQRCQJYOW-UHFFFAOYSA-N
XLogP4.46
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.46
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-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 6459156
3-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 87015572
3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride
CID 142694106
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 750957
5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769550
3-(4-ethoxyphenyl)-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 87015623
5-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-1,2,4-oxadiazole
CID 46342013
3-(3-fluoro-4-methylphenyl)-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 87015618
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50828013
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 38152467
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanone
CID 43930403

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole (CID 50769641) is 5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole is Fc1ccc(Cc2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole?
The InChIKey is BIRRSOQRCQJYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-17-8-4-15(5-9-17)14-19-22-20(23-25-19)16-6-10-18(11-7-16)24-12-2-1-3-13-24/h4-11H,1-3,12-14H2.
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole?
5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 337.40 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 50769641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).