5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole

C83H77N9O10S — CID 159689137

IUPAC5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2ccc(-c3ccccc3C)c([N+](=O)[O-])c2)n1.COc1ccccc1-c1noc(-c2ccc(-c3cscc3C)c(C)c2)n1.COc1ccccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1.COc1ccccc1-c1noc(-c2ccc(CC(C)C)cc2)n1
InChIInChI=1S/C22H17N3O4.C21H18N2O2S.C21H22N2O2.C19H20N2O2/c1-14-7-3-4-8-16(14)17-12-11-15(13-19(17)25(26)27)22-23-21(24-29-22)18-9-5-6-10-20(18)28-2;1-13-10-15(8-9-16(13)18-12-26-11-14(18)2)21-22-20(23-25-21)17-6-4-5-7-19(17)24-3;1-24-19-10-6-5-9-18(19)20-22-21(25-23-20)17-13-11-16(12-14-17)15-7-3-2-4-8-15;1-13(2)12-14-8-10-15(11-9-14)19-20-18(21-23-19)16-6-4-5-7-17(16)22-3/h3-13H,1-2H3;4-12H,1-3H3;5-6,9-15H,2-4,7-8H2,1H3;4-11,13H,12H2,1-3H3
InChIKeyMWELVEOGXBJFSA-UHFFFAOYSA-N
MW1392.65 g/mol
LogP21.12
Rot. Bonds18

About 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole

5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole (PubChem CID 159689137) has the molecular formula C83H77N9O10S and a molecular weight of 1392.65 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole
PubChem CID159689137
Molecular FormulaC83H77N9O10S
Molecular Weight1392.65 g/mol
Exact Mass1391.55
IUPAC Name5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2ccc(-c3ccccc3C)c([N+](=O)[O-])c2)n1.COc1ccccc1-c1noc(-c2ccc(-c3cscc3C)c(C)c2)n1.COc1ccccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1.COc1ccccc1-c1noc(-c2ccc(CC(C)C)cc2)n1
InChIInChI=1S/C22H17N3O4.C21H18N2O2S.C21H22N2O2.C19H20N2O2/c1-14-7-3-4-8-16(14)17-12-11-15(13-19(17)25(26)27)22-23-21(24-29-22)18-9-5-6-10-20(18)28-2;1-13-10-15(8-9-16(13)18-12-26-11-14(18)2)21-22-20(23-25-21)17-6-4-5-7-19(17)24-3;1-24-19-10-6-5-9-18(19)20-22-21(25-23-20)17-13-11-16(12-14-17)15-7-3-2-4-8-15;1-13(2)12-14-8-10-15(11-9-14)19-20-18(21-23-19)16-6-4-5-7-17(16)22-3/h3-13H,1-2H3;4-12H,1-3H3;5-6,9-15H,2-4,7-8H2,1H3;4-11,13H,12H2,1-3H3
InChIKeyMWELVEOGXBJFSA-UHFFFAOYSA-N
XLogP21.12
TPSA235.74 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001392.65
LogP ≤ 521.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(5-Fluoro-2-methoxyphenyl)-5-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(4-methylthiophen-3-yl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-(3-methyl-4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 157918005
5-(4-Cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole
CID 158533985
3-(2-Ethoxyphenyl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole;5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 158593320
5-(4-Cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole;5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 158824900
3-(2-Ethoxyphenyl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole;5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-3-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 159993361
N,N-bis(2-methoxyethyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline;4-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis(2-methoxyethyl)-2-nitroaniline;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 160455839
5-[4-(2,4-Dimethoxyphenyl)-3-methylphenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole;5-[4-(2-methoxyphenyl)-3-methylphenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 160941673
3-(5-Fluoro-2-methoxyphenyl)-5-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(4-methylthiophen-3-yl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-(3-methyl-4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;5-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 161180052

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole (CID 159689137) is 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole is COc1ccccc1-c1noc(-c2ccc(-c3ccccc3C)c([N+](=O)[O-])c2)n1.COc1ccccc1-c1noc(-c2ccc(-c3cscc3C)c(C)c2)n1.COc1ccccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1.COc1ccccc1-c1noc(-c2ccc(CC(C)C)cc2)n1.
What is the InChIKey of 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is MWELVEOGXBJFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4.C21H18N2O2S.C21H22N2O2.C19H20N2O2/c1-14-7-3-4-8-16(14)17-12-11-15(13-19(17)25(26)27)22-23-21(24-29-22)18-9-5-6-10-20(18)28-2;1-13-10-15(8-9-16(13)18-12-26-11-14(18)2)21-22-20(23-25-21)17-6-4-5-7-19(17)24-3;1-24-19-10-6-5-9-18(19)20-22-21(25-23-20)17-13-11-16(12-14-17)15-7-3-2-4-8-15;1-13(2)12-14-8-10-15(11-9-14)19-20-18(21-23-19)16-6-4-5-7-17(16)22-3/h3-13H,1-2H3;4-12H,1-3H3;5-6,9-15H,2-4,7-8H2,1H3;4-11,13H,12H2,1-3H3.
What are the key properties of 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole?
5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 1392.65 g/mol, XLogP of 21.12, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[3-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylphenyl)-3-nitrophenyl]-1,2,4-oxadiazole;3-(2-methoxyphenyl)-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 159689137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).