5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole

C18H17FN4O — CID 75614917

IUPAC5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CCCN3Cc3ccccc3)n2)nc1
InChIInChI=1S/C18H17FN4O/c19-14-8-9-15(20-11-14)17-21-18(24-22-17)16-7-4-10-23(16)12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16H,4,7,10,12H2
InChIKeyURHQAEZOCXQOPY-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.61
Rot. Bonds4

About 5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole

5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 75614917) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID75614917
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CCCN3Cc3ccccc3)n2)nc1
InChIInChI=1S/C18H17FN4O/c19-14-8-9-15(20-11-14)17-21-18(24-22-17)16-7-4-10-23(16)12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16H,4,7,10,12H2
InChIKeyURHQAEZOCXQOPY-UHFFFAOYSA-N
XLogP3.61
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 51136934
3-(5-fluoro-2-pyridinyl)-5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75614930
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 97071015
5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378
3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 51136932
[4-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892545
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859
6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
CID 126834888
5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131269
5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 95712932
5-[1-[(3-cyclohexylimidazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 70781832
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole (CID 75614917) is 5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(C3CCCN3Cc3ccccc3)n2)nc1.
What is the InChIKey of 5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is URHQAEZOCXQOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-14-8-9-15(20-11-14)17-21-18(24-22-17)16-7-4-10-23(16)12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16H,4,7,10,12H2.
What are the key properties of 5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 324.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 75614917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).