3-[(3-fluorophenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole

C16H20FN3O — CID 63145358

IUPAC3-[(3-fluorophenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(Cc3cccc(F)c3)no2)CCNC1
InChIInChI=1S/C16H20FN3O/c1-2-6-16(7-8-18-11-16)15-19-14(20-21-15)10-12-4-3-5-13(17)9-12/h3-5,9,18H,2,6-8,10-11H2,1H3
InChIKeyZJFBTYGONRRCCC-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.83
Rot. Bonds5

About 3-[(3-fluorophenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-[(3-fluorophenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 63145358) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID63145358
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name3-[(3-fluorophenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(Cc3cccc(F)c3)no2)CCNC1
InChIInChI=1S/C16H20FN3O/c1-2-6-16(7-8-18-11-16)15-19-14(20-21-15)10-12-4-3-5-13(17)9-12/h3-5,9,18H,2,6-8,10-11H2,1H3
InChIKeyZJFBTYGONRRCCC-UHFFFAOYSA-N
XLogP2.83
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 63145358) is 3-[(3-fluorophenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole is CCCC1(c2nc(Cc3cccc(F)c3)no2)CCNC1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is ZJFBTYGONRRCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-2-6-16(7-8-18-11-16)15-19-14(20-21-15)10-12-4-3-5-13(17)9-12/h3-5,9,18H,2,6-8,10-11H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-[(3-fluorophenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 289.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63145358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).