5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole

C19H19FN4O2 — CID 75131384

IUPAC5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C3CCCN3Cc3ccccc3F)n2)cn1
InChIInChI=1S/C19H19FN4O2/c1-25-17-9-8-13(11-21-17)18-22-19(26-23-18)16-7-4-10-24(16)12-14-5-2-3-6-15(14)20/h2-3,5-6,8-9,11,16H,4,7,10,12H2,1H3
InChIKeyXBLBBVSVDZGQSQ-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.62
Rot. Bonds5

About 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole

5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 75131384) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID75131384
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C3CCCN3Cc3ccccc3F)n2)cn1
InChIInChI=1S/C19H19FN4O2/c1-25-17-9-8-13(11-21-17)18-22-19(26-23-18)16-7-4-10-24(16)12-14-5-2-3-6-15(14)20/h2-3,5-6,8-9,11,16H,4,7,10,12H2,1H3
InChIKeyXBLBBVSVDZGQSQ-UHFFFAOYSA-N
XLogP3.62
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131386
N-[5-[5-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2-methoxyacetamide
CID 162799175
4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 75131201
5-[5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-2-amine
CID 75131501
5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131269
3-(5-fluoro-2-pyridinyl)-5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75614930
3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75131284
3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 163128524
3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 162799125
4-methoxy-N-[5-[5-[(2S)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]benzamide
CID 51136892
3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75131275
3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75131281

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole (CID 75131384) is 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(C3CCCN3Cc3ccccc3F)n2)cn1.
What is the InChIKey of 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is XBLBBVSVDZGQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-25-17-9-8-13(11-21-17)18-22-19(26-23-18)16-7-4-10-24(16)12-14-5-2-3-6-15(14)20/h2-3,5-6,8-9,11,16H,4,7,10,12H2,1H3.
What are the key properties of 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole?
5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 354.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 75131384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).