2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

C17H22N4O — CID 51137295

IUPAC2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1cc(-c2nnc([C@H]3CCN(C4CCCCC4)C3)o2)ccn1
InChIInChI=1S/C17H22N4O/c1-2-4-15(5-3-1)21-11-8-14(12-21)17-20-19-16(22-17)13-6-9-18-10-7-13/h6-7,9-10,14-15H,1-5,8,11-12H2/t14-/m0/s1
InChIKeyOIJFKJVRAIZEIO-AWEZNQCLSA-N
MW298.39 g/mol
LogP3.25
Rot. Bonds3

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

2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 51137295) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID51137295
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1cc(-c2nnc([C@H]3CCN(C4CCCCC4)C3)o2)ccn1
InChIInChI=1S/C17H22N4O/c1-2-4-15(5-3-1)21-11-8-14(12-21)17-20-19-16(22-17)13-6-9-18-10-7-13/h6-7,9-10,14-15H,1-5,8,11-12H2/t14-/m0/s1
InChIKeyOIJFKJVRAIZEIO-AWEZNQCLSA-N
XLogP3.25
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 51137198
2-cyclohexyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 863679
2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 53017492
2-(1-cyclohexylpyrrolidin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 75615647
pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 51137853
2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole
CID 75615616
2-(1-cyclobutylpyrrolidin-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 75615258
2-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 51137304
2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849713
1-[4-[(3S)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 51137256
2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 110243014
2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849716

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 51137295) is 2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is c1cc(-c2nnc([C@H]3CCN(C4CCCCC4)C3)o2)ccn1.
What is the InChIKey of 2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is OIJFKJVRAIZEIO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-4-15(5-3-1)21-11-8-14(12-21)17-20-19-16(22-17)13-6-9-18-10-7-13/h6-7,9-10,14-15H,1-5,8,11-12H2/t14-/m0/s1.
What are the key properties of 2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 298.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 51137295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).