2-benzyl-5-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole

C20H20FN3O — CID 51137390

IUPAC2-benzyl-5-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESFc1ccccc1CN1CC[C@H](c2nnc(Cc3ccccc3)o2)C1
InChIInChI=1S/C20H20FN3O/c21-18-9-5-4-8-16(18)13-24-11-10-17(14-24)20-23-22-19(25-20)12-15-6-2-1-3-7-15/h1-9,17H,10-14H2/t17-/m0/s1
InChIKeyBXONPLMDLUDDNU-KRWDZBQOSA-N
MW337.40 g/mol
LogP3.79
Rot. Bonds5

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

2-benzyl-5-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 51137390) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-benzyl-5-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID51137390
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name2-benzyl-5-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESFc1ccccc1CN1CC[C@H](c2nnc(Cc3ccccc3)o2)C1
InChIInChI=1S/C20H20FN3O/c21-18-9-5-4-8-16(18)13-24-11-10-17(14-24)20-23-22-19(25-20)12-15-6-2-1-3-7-15/h1-9,17H,10-14H2/t17-/m0/s1
InChIKeyBXONPLMDLUDDNU-KRWDZBQOSA-N
XLogP3.79
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 51137390) is 2-benzyl-5-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole is Fc1ccccc1CN1CC[C@H](c2nnc(Cc3ccccc3)o2)C1.
What is the InChIKey of 2-benzyl-5-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is BXONPLMDLUDDNU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-18-9-5-4-8-16(18)13-24-11-10-17(14-24)20-23-22-19(25-20)12-15-6-2-1-3-7-15/h1-9,17H,10-14H2/t17-/m0/s1.
What are the key properties of 2-benzyl-5-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-benzyl-5-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 337.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 51137390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).