2-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-5-phenyl-1,3,4-oxadiazole

C18H20N4O2 — CID 122135295

IUPAC2-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CCc3nc(C4CCCCC4)no3)o2)cc1
InChIInChI=1S/C18H20N4O2/c1-3-7-13(8-4-1)17-19-15(24-22-17)11-12-16-20-21-18(23-16)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2
InChIKeyRBSYCXHXJBGBPB-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.95
Rot. Bonds5

About 2-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-5-phenyl-1,3,4-oxadiazole

2-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 122135295) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID122135295
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CCc3nc(C4CCCCC4)no3)o2)cc1
InChIInChI=1S/C18H20N4O2/c1-3-7-13(8-4-1)17-19-15(24-22-17)11-12-16-20-21-18(23-16)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2
InChIKeyRBSYCXHXJBGBPB-UHFFFAOYSA-N
XLogP3.95
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 60837266
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
CID 65425762
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
2-cyclopentyl-5-phenyl-1,3,4-oxadiazole
CID 83382259
N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 64981860
3-cyclohexyl-5-[2-(6-methoxy-2-pyridinyl)ethyl]-1,2,4-oxadiazole
CID 167808538
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886
5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 43513453
3-[(3S)-oxolan-3-yl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 97444905

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-5-phenyl-1,3,4-oxadiazole (CID 122135295) is 2-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(CCc3nc(C4CCCCC4)no3)o2)cc1.
What is the InChIKey of 2-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is RBSYCXHXJBGBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-7-13(8-4-1)17-19-15(24-22-17)11-12-16-20-21-18(23-16)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2.
What are the key properties of 2-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-5-phenyl-1,3,4-oxadiazole?
2-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 324.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 122135295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).