3-(6-cyclohexyloxy-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole

C17H22N4O2 — CID 163156955

IUPAC3-(6-cyclohexyloxy-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESc1cc(OC2CCCCC2)ncc1-c1noc([C@H]2CCCN2)n1
InChIInChI=1S/C17H22N4O2/c1-2-5-13(6-3-1)22-15-9-8-12(11-19-15)16-20-17(23-21-16)14-7-4-10-18-14/h8-9,11,13-14,18H,1-7,10H2/t14-/m1/s1
InChIKeyPMMNKDHGHHKLTK-CQSZACIVSA-N
MW314.39 g/mol
LogP3.27
Rot. Bonds4

About 3-(6-cyclohexyloxy-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole

3-(6-cyclohexyloxy-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 163156955) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(6-cyclohexyloxy-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(6-cyclohexyloxy-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID163156955
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-(6-cyclohexyloxy-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESc1cc(OC2CCCCC2)ncc1-c1noc([C@H]2CCCN2)n1
InChIInChI=1S/C17H22N4O2/c1-2-5-13(6-3-1)22-15-9-8-12(11-19-15)16-20-17(23-21-16)14-7-4-10-18-14/h8-9,11,13-14,18H,1-7,10H2/t14-/m1/s1
InChIKeyPMMNKDHGHHKLTK-CQSZACIVSA-N
XLogP3.27
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(6-cyclohexyloxy-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 75131265
5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazole
CID 167879532
5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 120841006
5-(azepan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 64560736
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 43627431
4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135973873
3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655
3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119999990
3-(4-ethylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43627432
5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131269
3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75131281

Frequently Asked Questions

What is the IUPAC name of 3-(6-cyclohexyloxy-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(6-cyclohexyloxy-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 163156955) is 3-(6-cyclohexyloxy-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(6-cyclohexyloxy-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(6-cyclohexyloxy-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole is c1cc(OC2CCCCC2)ncc1-c1noc([C@H]2CCCN2)n1.
What is the InChIKey of 3-(6-cyclohexyloxy-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is PMMNKDHGHHKLTK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-5-13(6-3-1)22-15-9-8-12(11-19-15)16-20-17(23-21-16)14-7-4-10-18-14/h8-9,11,13-14,18H,1-7,10H2/t14-/m1/s1.
What are the key properties of 3-(6-cyclohexyloxy-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
3-(6-cyclohexyloxy-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 314.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyclohexyloxy-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 163156955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).