5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole

C13H15N3O — CID 877119

IUPAC5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3CCCCC3)n2)ccn1
InChIInChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2
InChIKeyXXTHMVRJMJIERU-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.18
Rot. Bonds2

About 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole

5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 877119) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID877119
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3CCCCC3)n2)ccn1
InChIInChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2
InChIKeyXXTHMVRJMJIERU-UHFFFAOYSA-N
XLogP3.18
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pifexole
CID 65758
Psn-375,963
CID 2875918
NS9283
CID 11998180
2-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763882
7-Phenyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)heptan-1-one
CID 24951001
4-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763855
5-(Cyclohexylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 935651
2-(5-o-Tolyl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 700561
3-(Pyridin-2-yl)-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 3156022
3-(2-Pyridyl)-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 6463470
3-(Pyridin-2-yl)-5-(3,5-difluorophenyl)-1,2,4-oxadiazole
CID 9881610
4-[5-(4-Tert-butylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 867088

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole (CID 877119) is 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole is c1cc(-c2noc(C3CCCCC3)n2)ccn1.
What is the InChIKey of 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is XXTHMVRJMJIERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2.
What are the key properties of 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole?
5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 229.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 877119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).