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

C19H18FN3O — CID 50769361

IUPAC5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
SMILESFc1cccc(Cc2nc(-c3ccc(N4CCCC4)cc3)no2)c1
InChIInChI=1S/C19H18FN3O/c20-16-5-3-4-14(12-16)13-18-21-19(22-24-18)15-6-8-17(9-7-15)23-10-1-2-11-23/h3-9,12H,1-2,10-11,13H2
InChIKeyRFSDNVAFIBAZQD-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.07
Rot. Bonds4

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

5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole (PubChem CID 50769361) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
PubChem CID50769361
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
SMILESFc1cccc(Cc2nc(-c3ccc(N4CCCC4)cc3)no2)c1
InChIInChI=1S/C19H18FN3O/c20-16-5-3-4-14(12-16)13-18-21-19(22-24-18)15-6-8-17(9-7-15)23-10-1-2-11-23/h3-9,12H,1-2,10-11,13H2
InChIKeyRFSDNVAFIBAZQD-UHFFFAOYSA-N
XLogP4.07
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769641
5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769550
2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 53033532
3-(1-cyclopentylbenzotriazol-5-yl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 53095374
1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 53033606
3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845617
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 750957
5-[(3-fluorophenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944967
3-(chloromethyl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 43120187
3-(4-fluorophenyl)-5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 30728444
3-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 87015572
5-[(3-fluorophenyl)methylsulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 78845533

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole (CID 50769361) is 5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole is Fc1cccc(Cc2nc(-c3ccc(N4CCCC4)cc3)no2)c1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole?
The InChIKey is RFSDNVAFIBAZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-16-5-3-4-14(12-16)13-18-21-19(22-24-18)15-6-8-17(9-7-15)23-10-1-2-11-23/h3-9,12H,1-2,10-11,13H2.
What are the key properties of 5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole?
5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 323.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 50769361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).