3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole

C13H14FN3O2 — CID 82624437

IUPAC3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(F)cc1-c1noc(C2CCCN2)n1
InChIInChI=1S/C13H14FN3O2/c1-18-11-5-4-8(14)7-9(11)12-16-13(19-17-12)10-3-2-6-15-10/h4-5,7,10,15H,2-3,6H2,1H3
InChIKeyJGIMAEKSYOSJCG-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.31
Rot. Bonds3

About 3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole

3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 82624437) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID82624437
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(F)cc1-c1noc(C2CCCN2)n1
InChIInChI=1S/C13H14FN3O2/c1-18-11-5-4-8(14)7-9(11)12-16-13(19-17-12)10-3-2-6-15-10/h4-5,7,10,15H,2-3,6H2,1H3
InChIKeyJGIMAEKSYOSJCG-UHFFFAOYSA-N
XLogP2.31
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93093295
3-(5-chloro-2-methoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 102538095
5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 165475619
3-(2-bromo-4-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 107280122
3-(2-methoxy-4-methylphenyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 106789490
3-(4-fluoro-2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 81274408
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
3-(3-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 82624435
3-(3-bromo-4-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 106950830
3-(2-bromo-4-fluorophenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 107280008
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 82624437) is 3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole is COc1ccc(F)cc1-c1noc(C2CCCN2)n1.
What is the InChIKey of 3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is JGIMAEKSYOSJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-18-11-5-4-8(14)7-9(11)12-16-13(19-17-12)10-3-2-6-15-10/h4-5,7,10,15H,2-3,6H2,1H3.
What are the key properties of 3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 263.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 82624437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).