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

C12H12FN3O — CID 3998388

IUPAC3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CCCN3)n2)cc1
InChIInChI=1S/C12H12FN3O/c13-9-5-3-8(4-6-9)11-15-12(17-16-11)10-2-1-7-14-10/h3-6,10,14H,1-2,7H2
InChIKeyMNMVPVCQOZPXSE-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.30
Rot. Bonds2

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

3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 3998388) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID3998388
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CCCN3)n2)cc1
InChIInChI=1S/C12H12FN3O/c13-9-5-3-8(4-6-9)11-15-12(17-16-11)10-2-1-7-14-10/h3-6,10,14H,1-2,7H2
InChIKeyMNMVPVCQOZPXSE-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 43627431
2-fluoro-4-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 136810089
5-(azepan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 64560736
4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135973873
3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655
3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119999990
3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900526
3-(2-bromo-4-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 107280122
3-(4-ethylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43627432
5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole
CID 67225116
3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93350964
5-[(2S)-piperidin-2-yl]-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole
CID 103832702

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 3998388) is 3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole is Fc1ccc(-c2noc(C3CCCN3)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is MNMVPVCQOZPXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-9-5-3-8(4-6-9)11-15-12(17-16-11)10-2-1-7-14-10/h3-6,10,14H,1-2,7H2.
What are the key properties of 3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 233.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 3998388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).