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

C18H18ClN5O — CID 92572835

IUPAC2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESClc1ccccc1CN1CCC[C@@H](c2nnc(-c3cnccn3)o2)C1
InChIInChI=1S/C18H18ClN5O/c19-15-6-2-1-4-13(15)11-24-9-3-5-14(12-24)17-22-23-18(25-17)16-10-20-7-8-21-16/h1-2,4,6-8,10,14H,3,5,9,11-12H2/t14-/m1/s1
InChIKeyVWKOQWXJHHMFEG-CQSZACIVSA-N
MW355.83 g/mol
LogP3.56
Rot. Bonds4

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

2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole (PubChem CID 92572835) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
PubChem CID92572835
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESClc1ccccc1CN1CCC[C@@H](c2nnc(-c3cnccn3)o2)C1
InChIInChI=1S/C18H18ClN5O/c19-15-6-2-1-4-13(15)11-24-9-3-5-14(12-24)17-22-23-18(25-17)16-10-20-7-8-21-16/h1-2,4,6-8,10,14H,3,5,9,11-12H2/t14-/m1/s1
InChIKeyVWKOQWXJHHMFEG-CQSZACIVSA-N
XLogP3.56
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92601774
2-(4-chlorophenyl)-5-[(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137234
2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 95849799
2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849716
2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 110243014
2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849713
2-[1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 110236053
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110236030
5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60565067
2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazole
CID 110236060
2-[(2R)-1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 125023353
2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 92572274

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole (CID 92572835) is 2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole is Clc1ccccc1CN1CCC[C@@H](c2nnc(-c3cnccn3)o2)C1.
What is the InChIKey of 2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The InChIKey is VWKOQWXJHHMFEG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18ClN5O/c19-15-6-2-1-4-13(15)11-24-9-3-5-14(12-24)17-22-23-18(25-17)16-10-20-7-8-21-16/h1-2,4,6-8,10,14H,3,5,9,11-12H2/t14-/m1/s1.
What are the key properties of 2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole has a molecular weight of 355.83 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 92572835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).