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

C15H18FN3O — CID 63145140

IUPAC5-(3-ethylpyrrolidin-3-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESCCC1(c2nc(Cc3ccccc3F)no2)CCNC1
InChIInChI=1S/C15H18FN3O/c1-2-15(7-8-17-10-15)14-18-13(19-20-14)9-11-5-3-4-6-12(11)16/h3-6,17H,2,7-10H2,1H3
InChIKeyBNPDULOUFBPADJ-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.44
Rot. Bonds4

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

5-(3-ethylpyrrolidin-3-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 63145140) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-(3-ethylpyrrolidin-3-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-ethylpyrrolidin-3-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID63145140
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name5-(3-ethylpyrrolidin-3-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESCCC1(c2nc(Cc3ccccc3F)no2)CCNC1
InChIInChI=1S/C15H18FN3O/c1-2-15(7-8-17-10-15)14-18-13(19-20-14)9-11-5-3-4-6-12(11)16/h3-6,17H,2,7-10H2,1H3
InChIKeyBNPDULOUFBPADJ-UHFFFAOYSA-N
XLogP2.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpyrrolidin-3-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-ethylpyrrolidin-3-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole (CID 63145140) is 5-(3-ethylpyrrolidin-3-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-ethylpyrrolidin-3-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-ethylpyrrolidin-3-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole is CCC1(c2nc(Cc3ccccc3F)no2)CCNC1.
What is the InChIKey of 5-(3-ethylpyrrolidin-3-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is BNPDULOUFBPADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-2-15(7-8-17-10-15)14-18-13(19-20-14)9-11-5-3-4-6-12(11)16/h3-6,17H,2,7-10H2,1H3.
What are the key properties of 5-(3-ethylpyrrolidin-3-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole?
5-(3-ethylpyrrolidin-3-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 275.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpyrrolidin-3-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 63145140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).