2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole

C18H17F2N5O — CID 110235524

IUPAC2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESFc1ccc(CN2CCCC(c3nnc(-c4cnccn4)o3)C2)cc1F
InChIInChI=1S/C18H17F2N5O/c19-14-4-3-12(8-15(14)20)10-25-7-1-2-13(11-25)17-23-24-18(26-17)16-9-21-5-6-22-16/h3-6,8-9,13H,1-2,7,10-11H2
InChIKeyICNRSURGFCJITQ-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.18
Rot. Bonds4

About 2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole

2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole (PubChem CID 110235524) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
PubChem CID110235524
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC Name2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESFc1ccc(CN2CCCC(c3nnc(-c4cnccn4)o3)C2)cc1F
InChIInChI=1S/C18H17F2N5O/c19-14-4-3-12(8-15(14)20)10-25-7-1-2-13(11-25)17-23-24-18(26-17)16-9-21-5-6-22-16/h3-6,8-9,13H,1-2,7,10-11H2
InChIKeyICNRSURGFCJITQ-UHFFFAOYSA-N
XLogP3.18
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole (CID 110235524) is 2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole is Fc1ccc(CN2CCCC(c3nnc(-c4cnccn4)o3)C2)cc1F.
What is the InChIKey of 2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The InChIKey is ICNRSURGFCJITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O/c19-14-4-3-12(8-15(14)20)10-25-7-1-2-13(11-25)17-23-24-18(26-17)16-9-21-5-6-22-16/h3-6,8-9,13H,1-2,7,10-11H2.
What are the key properties of 2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole has a molecular weight of 357.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 110235524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).