3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

C17H16FN5O — CID 51136934

IUPAC3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccn3)n2)nc1
InChIInChI=1S/C17H16FN5O/c18-12-6-7-14(20-10-12)16-21-17(24-22-16)15-5-3-9-23(15)11-13-4-1-2-8-19-13/h1-2,4,6-8,10,15H,3,5,9,11H2/t15-/m0/s1
InChIKeyNVWGVZJOGQCZJH-HNNXBMFYSA-N
MW325.35 g/mol
LogP3.00
Rot. Bonds4

About 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 51136934) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID51136934
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccn3)n2)nc1
InChIInChI=1S/C17H16FN5O/c18-12-6-7-14(20-10-12)16-21-17(24-22-16)15-5-3-9-23(15)11-13-4-1-2-8-19-13/h1-2,4,6-8,10,15H,3,5,9,11H2/t15-/m0/s1
InChIKeyNVWGVZJOGQCZJH-HNNXBMFYSA-N
XLogP3.00
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 75614917
3-(5-fluoro-2-pyridinyl)-5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75614930
3-propan-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53204191
3-propan-2-yl-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 91653847
5-[1-[(3-cyclohexylimidazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 70781832
5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 95230095
2-methoxy-N-[5-[5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide
CID 75131329
3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 51136932
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 97071015
2-(2,4-difluorophenyl)-1-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 96580293
1-[4-[[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 70764668
2-[[(2S)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyridine
CID 91653815

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 51136934) is 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole is Fc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccn3)n2)nc1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is NVWGVZJOGQCZJH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-12-6-7-14(20-10-12)16-21-17(24-22-16)15-5-3-9-23(15)11-13-4-1-2-8-19-13/h1-2,4,6-8,10,15H,3,5,9,11H2/t15-/m0/s1.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 325.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 51136934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).