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

C18H17F2N5O — CID 125023353

IUPAC2-[(2R)-1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESFc1cccc(CN2CCCC[C@@H]2c2nnc(-c3cnccn3)o2)c1F
InChIInChI=1S/C18H17F2N5O/c19-13-5-3-4-12(16(13)20)11-25-9-2-1-6-15(25)18-24-23-17(26-18)14-10-21-7-8-22-14/h3-5,7-8,10,15H,1-2,6,9,11H2/t15-/m1/s1
InChIKeyYXPBVGKHRQWVEX-OAHLLOKOSA-N
MW357.36 g/mol
LogP3.53
Rot. Bonds4

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

2-[(2R)-1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole (PubChem CID 125023353) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-[(2R)-1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2R)-1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
PubChem CID125023353
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC Name2-[(2R)-1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESFc1cccc(CN2CCCC[C@@H]2c2nnc(-c3cnccn3)o2)c1F
InChIInChI=1S/C18H17F2N5O/c19-13-5-3-4-12(16(13)20)11-25-9-2-1-6-15(25)18-24-23-17(26-18)14-10-21-7-8-22-14/h3-5,7-8,10,15H,1-2,6,9,11H2/t15-/m1/s1
InChIKeyYXPBVGKHRQWVEX-OAHLLOKOSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110247156
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110082680
2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92572835
2-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 110223643
3-[[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137218353
(5-ethylthiophen-3-yl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 155900871
5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 26332806
2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92601774
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 97071015
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
(2,5-dimethoxyphenyl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 110082710
1-[(2-fluorophenyl)methyl]-2-pyridin-4-ylazepane
CID 112826234

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2R)-1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole (CID 125023353) is 2-[(2R)-1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2R)-1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2R)-1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole is Fc1cccc(CN2CCCC[C@@H]2c2nnc(-c3cnccn3)o2)c1F.
What is the InChIKey of 2-[(2R)-1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The InChIKey is YXPBVGKHRQWVEX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17F2N5O/c19-13-5-3-4-12(16(13)20)11-25-9-2-1-6-15(25)18-24-23-17(26-18)14-10-21-7-8-22-14/h3-5,7-8,10,15H,1-2,6,9,11H2/t15-/m1/s1.
What are the key properties of 2-[(2R)-1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
2-[(2R)-1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole has a molecular weight of 357.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 125023353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).