2-[(3S)-1-benzylpyrrolidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole

C19H18FN3O — CID 51137645

IUPAC2-[(3S)-1-benzylpyrrolidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc([C@H]2CCN(Cc3ccccc3)C2)o1
InChIInChI=1S/C19H18FN3O/c20-17-9-5-4-8-16(17)19-22-21-18(24-19)15-10-11-23(13-15)12-14-6-2-1-3-7-14/h1-9,15H,10-13H2/t15-/m0/s1
InChIKeyUTXKFSVEIGOLMF-HNNXBMFYSA-N
MW323.37 g/mol
LogP3.87
Rot. Bonds4

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

2-[(3S)-1-benzylpyrrolidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 51137645) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[(3S)-1-benzylpyrrolidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-benzylpyrrolidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
PubChem CID51137645
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name2-[(3S)-1-benzylpyrrolidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc([C@H]2CCN(Cc3ccccc3)C2)o1
InChIInChI=1S/C19H18FN3O/c20-17-9-5-4-8-16(17)19-22-21-18(24-19)15-10-11-23(13-15)12-14-6-2-1-3-7-14/h1-9,15H,10-13H2/t15-/m0/s1
InChIKeyUTXKFSVEIGOLMF-HNNXBMFYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-benzylpyrrolidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-benzylpyrrolidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole (CID 51137645) is 2-[(3S)-1-benzylpyrrolidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-benzylpyrrolidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-benzylpyrrolidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole is Fc1ccccc1-c1nnc([C@H]2CCN(Cc3ccccc3)C2)o1.
What is the InChIKey of 2-[(3S)-1-benzylpyrrolidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is UTXKFSVEIGOLMF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-17-9-5-4-8-16(17)19-22-21-18(24-19)15-10-11-23(13-15)12-14-6-2-1-3-7-14/h1-9,15H,10-13H2/t15-/m0/s1.
What are the key properties of 2-[(3S)-1-benzylpyrrolidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
2-[(3S)-1-benzylpyrrolidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 323.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-benzylpyrrolidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 51137645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).