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

C18H16F2N4O — CID 51137330

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

2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 51137330) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
• PubChem CID: 51137330
• Molecular Formula: C18H16F2N4O
• Molecular Weight: 342.35 g/mol
• Exact Mass: 342.13
• IUPAC Name: 2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
• SMILES: Fc1ccc(CN2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1F
• InChI: InChI=1S/C18H16F2N4O/c19-15-4-3-12(8-16(15)20)10-24-7-5-14(11-24)18-23-22-17(25-18)13-2-1-6-21-9-13/h1-4,6,8-9,14H,5,7,10-11H2/t14-/m0/s1
• InChIKey: CLAZCMLDPWDIOM-AWEZNQCLSA-N
• XLogP: 3.40
• TPSA: 55.05 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.35
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?

The IUPAC name of 2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 51137330) is 2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.

What is the SMILES notation for 2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?

The canonical SMILES for 2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is Fc1ccc(CN2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1F.

What is the InChIKey of 2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?

The InChIKey is CLAZCMLDPWDIOM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H16F2N4O/c19-15-4-3-12(8-16(15)20)10-24-7-5-14(11-24)18-23-22-17(25-18)13-2-1-6-21-9-13/h1-4,6,8-9,14H,5,7,10-11H2/t14-/m0/s1.

What are the key properties of 2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?

2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 342.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 51137330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).