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

C18H27N3O — CID 143066868

IUPAC3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane
SMILESCCCCC.c1cc(-c2nc(C3CCCCC3)no2)ccn1
InChIInChI=1S/C13H15N3O.C5H12/c1-2-4-10(5-3-1)12-15-13(17-16-12)11-6-8-14-9-7-11;1-3-5-4-2/h6-10H,1-5H2;3-5H2,1-2H3
InChIKeyQTQUJOUBVLMPJC-UHFFFAOYSA-N
MW301.43 g/mol
LogP5.38
Rot. Bonds4

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

3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane (PubChem CID 143066868) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane.

Molecular Properties

Compound Name3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane
PubChem CID143066868
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane
SMILESCCCCC.c1cc(-c2nc(C3CCCCC3)no2)ccn1
InChIInChI=1S/C13H15N3O.C5H12/c1-2-4-10(5-3-1)12-15-13(17-16-12)11-6-8-14-9-7-11;1-3-5-4-2/h6-10H,1-5H2;3-5H2,1-2H3
InChIKeyQTQUJOUBVLMPJC-UHFFFAOYSA-N
XLogP5.38
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole
CID 2179964
[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 114324958
3-(1-propylsulfonylpyrrolidin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 91905580
3-cyclohexyl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole
CID 3236759
5-(4-butoxyphenyl)-3-(4-butylcyclohexyl)-1,2,4-oxadiazole
CID 3095315
3-(4-butylcyclohexyl)-5-(4-heptylphenyl)-1,2,4-oxadiazole
CID 3095325
3-(4-hexylcyclohexyl)-5-(4-pentylphenyl)-1,2,4-oxadiazole
CID 4693342
5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 141290235
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813508
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813482
5-(4-cyclohexylphenyl)-3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazole
CID 59657734
5-(4-bromophenyl)-3-[4-(4-propylcyclohexyl)cyclohexyl]-1,2,4-oxadiazole
CID 3100648

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane?
The IUPAC name of 3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane (CID 143066868) is 3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane.
What is the SMILES notation for 3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane?
The canonical SMILES for 3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane is CCCCC.c1cc(-c2nc(C3CCCCC3)no2)ccn1.
What is the InChIKey of 3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane?
The InChIKey is QTQUJOUBVLMPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.C5H12/c1-2-4-10(5-3-1)12-15-13(17-16-12)11-6-8-14-9-7-11;1-3-5-4-2/h6-10H,1-5H2;3-5H2,1-2H3.
What are the key properties of 3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane?
3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane has a molecular weight of 301.43 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane is sourced from PubChem (CID 143066868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).