5-cyclohexyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole

C21H23N3O3 — CID 664779

IUPAC5-cyclohexyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ccc(-c3noc(C4CCCCC4)n3)c(OC)n2)cc1
InChIInChI=1S/C21H23N3O3/c1-25-16-10-8-14(9-11-16)18-13-12-17(21(22-18)26-2)19-23-20(27-24-19)15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3
InChIKeyDHSNRPNKFROLHC-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.86
Rot. Bonds5

About 5-cyclohexyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole

5-cyclohexyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 664779) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-cyclohexyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclohexyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID664779
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name5-cyclohexyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ccc(-c3noc(C4CCCCC4)n3)c(OC)n2)cc1
InChIInChI=1S/C21H23N3O3/c1-25-16-10-8-14(9-11-16)18-13-12-17(21(22-18)26-2)19-23-20(27-24-19)15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3
InChIKeyDHSNRPNKFROLHC-UHFFFAOYSA-N
XLogP4.86
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-cyclohexyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(2-Ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 665510
4-[5-[(4-Methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridine
CID 806077
5-(2-Ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 648645
2-Methoxy-3-(5-methoxymethyl-[1,2,4]oxadiazol-3-yl)-6-p-tolyl-pyridine
CID 653318
3-(2-Ethoxy-6-methylpyridin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 655513
2-Methoxy-3-(5-methoxymethyl-[1,2,4]oxadiazol-3-yl)-6-phenyl-pyridine
CID 656230
3-(2-Methoxy-6-(4-methoxyphenyl)pyridin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 664083
2-Methoxy-6-(4-methoxyphenyl)-3-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 664369
3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-phenylpyridine
CID 664462
2-Methoxy-6-(4-methoxyphenyl)-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 664499
3-(2-Methoxy-6-phenylpyridin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 664623
3-(2-Methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 913814

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclohexyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole (CID 664779) is 5-cyclohexyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclohexyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclohexyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole is COc1ccc(-c2ccc(-c3noc(C4CCCCC4)n3)c(OC)n2)cc1.
What is the InChIKey of 5-cyclohexyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is DHSNRPNKFROLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-25-16-10-8-14(9-11-16)18-13-12-17(21(22-18)26-2)19-23-20(27-24-19)15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3.
What are the key properties of 5-cyclohexyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
5-cyclohexyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 365.43 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 664779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).