3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole

C12H12FN3O — CID 94917759

IUPAC3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1-c1noc([C@@H]2CCNC2)n1
InChIInChI=1S/C12H12FN3O/c13-10-4-2-1-3-9(10)11-15-12(17-16-11)8-5-6-14-7-8/h1-4,8,14H,5-7H2/t8-/m1/s1
InChIKeyXGUANSHUKMNVPV-MRVPVSSYSA-N
MW233.25 g/mol
LogP1.95
Rot. Bonds2

About 3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole

3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 94917759) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID94917759
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1-c1noc([C@@H]2CCNC2)n1
InChIInChI=1S/C12H12FN3O/c13-10-4-2-1-3-9(10)11-15-12(17-16-11)8-5-6-14-7-8/h1-4,8,14H,5-7H2/t8-/m1/s1
InChIKeyXGUANSHUKMNVPV-MRVPVSSYSA-N
XLogP1.95
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 62716116
3-(3,4-difluorophenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917701
3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 53417950
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66031194
3-(4-fluoro-3-methylphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838743
3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 79719777
3-pyridin-3-yl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917646
3-[(2-fluorophenoxy)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120893547
3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole
CID 46891023
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044
3-(5-chlorothiophen-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115080890
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 68930683

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 94917759) is 3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole is Fc1ccccc1-c1noc([C@@H]2CCNC2)n1.
What is the InChIKey of 3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is XGUANSHUKMNVPV-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-10-4-2-1-3-9(10)11-15-12(17-16-11)8-5-6-14-7-8/h1-4,8,14H,5-7H2/t8-/m1/s1.
What are the key properties of 3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 233.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 94917759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).