3-cyclopentyl-5-[1-[(3,4-difluorophenyl)methyl]-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole

C23H24F2N4O — CID 171141512

IUPAC3-cyclopentyl-5-[1-[(3,4-difluorophenyl)methyl]-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESFc1ccc(CN2CC(c3cccnc3)C(c3nc(C4CCCC4)no3)C2)cc1F
InChIInChI=1S/C23H24F2N4O/c24-20-8-7-15(10-21(20)25)12-29-13-18(17-6-3-9-26-11-17)19(14-29)23-27-22(28-30-23)16-4-1-2-5-16/h3,6-11,16,18-19H,1-2,4-5,12-14H2
InChIKeyOOWYIRDZYLXZQA-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.78
Rot. Bonds5

About 3-cyclopentyl-5-[1-[(3,4-difluorophenyl)methyl]-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole

3-cyclopentyl-5-[1-[(3,4-difluorophenyl)methyl]-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 171141512) has the molecular formula C23H24F2N4O and a molecular weight of 410.47 g/mol. Its IUPAC name is 3-cyclopentyl-5-[1-[(3,4-difluorophenyl)methyl]-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopentyl-5-[1-[(3,4-difluorophenyl)methyl]-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID171141512
Molecular FormulaC23H24F2N4O
Molecular Weight410.47 g/mol
Exact Mass410.19
IUPAC Name3-cyclopentyl-5-[1-[(3,4-difluorophenyl)methyl]-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESFc1ccc(CN2CC(c3cccnc3)C(c3nc(C4CCCC4)no3)C2)cc1F
InChIInChI=1S/C23H24F2N4O/c24-20-8-7-15(10-21(20)25)12-29-13-18(17-6-3-9-26-11-17)19(14-29)23-27-22(28-30-23)16-4-1-2-5-16/h3,6-11,16,18-19H,1-2,4-5,12-14H2
InChIKeyOOWYIRDZYLXZQA-UHFFFAOYSA-N
XLogP4.78
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[1-[(3,4-difluorophenyl)methyl]-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopentyl-5-[1-[(3,4-difluorophenyl)methyl]-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole (CID 171141512) is 3-cyclopentyl-5-[1-[(3,4-difluorophenyl)methyl]-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopentyl-5-[1-[(3,4-difluorophenyl)methyl]-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopentyl-5-[1-[(3,4-difluorophenyl)methyl]-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole is Fc1ccc(CN2CC(c3cccnc3)C(c3nc(C4CCCC4)no3)C2)cc1F.
What is the InChIKey of 3-cyclopentyl-5-[1-[(3,4-difluorophenyl)methyl]-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is OOWYIRDZYLXZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O/c24-20-8-7-15(10-21(20)25)12-29-13-18(17-6-3-9-26-11-17)19(14-29)23-27-22(28-30-23)16-4-1-2-5-16/h3,6-11,16,18-19H,1-2,4-5,12-14H2.
What are the key properties of 3-cyclopentyl-5-[1-[(3,4-difluorophenyl)methyl]-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole?
3-cyclopentyl-5-[1-[(3,4-difluorophenyl)methyl]-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 410.47 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[1-[(3,4-difluorophenyl)methyl]-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 171141512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).