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 — IUPAC name, SMILES, InChIKey & properties

Name: 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 — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

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-[3-methyl-4-[2-(trifluoromethyl)phenyl]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-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole (PubChem CID 158533985) has the molecular formula C87H74F3N9O10S and a molecular weight of 1494.66 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-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name	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
PubChem CID	158533985
Molecular Formula	C87H74F3N9O10S
Molecular Weight	1494.66 g/mol
Exact Mass	1493.52
IUPAC Name	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
SMILES	COc1ccccc1-c1noc(-c2ccc(-c3ccccc3C(F)(F)F)c(C)c2)n1.COc1ccccc1-c1noc(-c2ccc(-c3ccccc3C)c([N+](=O)[O-])c2)n1.COc1ccccc1-c1noc(-c2ccc(-c3cscc3C)c(C)c2)n1.COc1ccccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1
InChI	InChI=1S/C23H17F3N2O2.C22H17N3O4.C21H18N2O2S.C21H22N2O2/c1-14-13-15(11-12-16(14)17-7-3-5-9-19(17)23(24,25)26)22-27-21(28-30-22)18-8-4-6-10-20(18)29-2;1-14-7-3-4-8-16(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/h3-13H,1-2H3;3-13H,1-2H3;4-12H,1-3H3;5-6,9-15H,2-4,7-8H2,1H3
InChIKey	HNSHVOWHBBNRRU-UHFFFAOYSA-N
XLogP	22.92
TPSA	235.74 Å²
H-Bond Donors
H-Bond Acceptors	19
Rotatable Bonds	17
Heavy Atoms	110
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1494.66
LogP ≤ 5	22.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

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-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole with MolForge

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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-[3-methyl-4-[2-(trifluoromethyl)phenyl]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-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole (CID 158533985) 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-[3-methyl-4-[2-(trifluoromethyl)phenyl]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-[3-methyl-4-[2-(trifluoromethyl)phenyl]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-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole is COc1ccccc1-c1noc(-c2ccc(-c3ccccc3C(F)(F)F)c(C)c2)n1.COc1ccccc1-c1noc(-c2ccc(-c3ccccc3C)c([N+](=O)[O-])c2)n1.COc1ccccc1-c1noc(-c2ccc(-c3cscc3C)c(C)c2)n1.COc1ccccc1-c1noc(-c2ccc(C3CCCCC3)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-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole?

The InChIKey is HNSHVOWHBBNRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2.C22H17N3O4.C21H18N2O2S.C21H22N2O2/c1-14-13-15(11-12-16(14)17-7-3-5-9-19(17)23(24,25)26)22-27-21(28-30-22)18-8-4-6-10-20(18)29-2;1-14-7-3-4-8-16(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/h3-13H,1-2H3;3-13H,1-2H3;4-12H,1-3H3;5-6,9-15H,2-4,7-8H2,1H3.

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-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole?

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-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 158533985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).