1-cyclopenta-1,4-dien-1-yl-4-methylbenzene;5-(4,4-difluorocyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;3-methyl-5-(3-methylcyclohexyl)-1,2,4-oxadiazole;N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole

C99H119F2N23O10 — CID 167708074

About 1-cyclopenta-1,4-dien-1-yl-4-methylbenzene;5-(4,4-difluorocyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;3-methyl-5-(3-methylcyclohexyl)-1,2,4-oxadiazole;N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole

1-cyclopenta-1,4-dien-1-yl-4-methylbenzene;5-(4,4-difluorocyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;3-methyl-5-(3-methylcyclohexyl)-1,2,4-oxadiazole;N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole (PubChem CID 167708074) has the molecular formula C99H119F2N23O10 and a molecular weight of 1829.19 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-yl-4-methylbenzene;5-(4,4-difluorocyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;3-methyl-5-(3-methylcyclohexyl)-1,2,4-oxadiazole;N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 1-cyclopenta-1,4-dien-1-yl-4-methylbenzene;5-(4,4-difluorocyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;3-methyl-5-(3-methylcyclohexyl)-1,2,4-oxadiazole;N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole
• PubChem CID: 167708074
• Molecular Formula: C99H119F2N23O10
• Molecular Weight: 1829.19 g/mol
• Exact Mass: 1827.95
• IUPAC Name: 1-cyclopenta-1,4-dien-1-yl-4-methylbenzene;5-(4,4-difluorocyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;3-methyl-5-(3-methylcyclohexyl)-1,2,4-oxadiazole;N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole
• SMILES: CNC1CCC(c2nc(C)no2)CC1.C[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.Cc1ccc(C2=CCC=C2)cc1.Cc1ccnc(-c2nc(C)no2)c1.Cc1noc(-c2ccc3c(c2)N=CC3)n1.Cc1noc(-c2ccccn2)n1.Cc1noc(-c2cncnc2)n1.Cc1noc(C2(C)CCC(C)CC2)n1.Cc1noc(C2CCC(F)(F)CC2)n1.Cc1noc(C2CCCC(C)C2)n1
• InChI: InChI=1S/C12H13NO2.C12H12.C11H9N3O.C11H18N2O.C10H17N3O.C10H16N2O.C9H12F2N2O.C9H9N3O.C8H7N3O.C7H6N4O/c1-8(12(14)15)6-9-7-13-11-5-3-2-4-10(9)11;1-10-6-8-12(9-7-10)11-4-2-3-5-11;1-7-13-11(15-14-7)9-3-2-8-4-5-12-10(8)6-9;1-8-4-6-11(3,7-5-8)10-12-9(2)13-14-10;1-7-12-10(14-13-7)8-3-5-9(11-2)6-4-8;1-7-4-3-5-9(6-7)10-11-8(2)12-13-10;1-6-12-8(14-13-6)7-2-4-9(10,11)5-3-7;1-6-3-4-10-8(5-6)9-11-7(2)12-13-9;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-5-10-7(12-11-5)6-2-8-4-9-3-6/h2-5,7-8,13H,6H2,1H3,(H,14,15);2,4-9H,3H2,1H3;2-3,5-6H,4H2,1H3;8H,4-7H2,1-3H3;8-9,11H,3-6H2,1-2H3;7,9H,3-6H2,1-2H3;7H,2-5H2,1H3;3-5H,1-2H3;2-5H,1H3;2-4H,1H3/t8-;;;;;;;;;/m0........./s1
• InChIKey: ZKFYPYRFUNDAPL-UQDQVLRLSA-N
• XLogP: 21.91
• TPSA: 440.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 13
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1829.19
LogP ≤ 5	21.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-yl-4-methylbenzene;5-(4,4-difluorocyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;3-methyl-5-(3-methylcyclohexyl)-1,2,4-oxadiazole;N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole?

The IUPAC name of 1-cyclopenta-1,4-dien-1-yl-4-methylbenzene;5-(4,4-difluorocyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;3-methyl-5-(3-methylcyclohexyl)-1,2,4-oxadiazole;N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole (CID 167708074) is 1-cyclopenta-1,4-dien-1-yl-4-methylbenzene;5-(4,4-difluorocyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;3-methyl-5-(3-methylcyclohexyl)-1,2,4-oxadiazole;N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole.

What is the SMILES notation for 1-cyclopenta-1,4-dien-1-yl-4-methylbenzene;5-(4,4-difluorocyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;3-methyl-5-(3-methylcyclohexyl)-1,2,4-oxadiazole;N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole?

The canonical SMILES for 1-cyclopenta-1,4-dien-1-yl-4-methylbenzene;5-(4,4-difluorocyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;3-methyl-5-(3-methylcyclohexyl)-1,2,4-oxadiazole;N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole is CNC1CCC(c2nc(C)no2)CC1.C[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.Cc1ccc(C2=CCC=C2)cc1.Cc1ccnc(-c2nc(C)no2)c1.Cc1noc(-c2ccc3c(c2)N=CC3)n1.Cc1noc(-c2ccccn2)n1.Cc1noc(-c2cncnc2)n1.Cc1noc(C2(C)CCC(C)CC2)n1.Cc1noc(C2CCC(F)(F)CC2)n1.Cc1noc(C2CCCC(C)C2)n1.

What is the InChIKey of 1-cyclopenta-1,4-dien-1-yl-4-methylbenzene;5-(4,4-difluorocyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;3-methyl-5-(3-methylcyclohexyl)-1,2,4-oxadiazole;N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole?

The InChIKey is ZKFYPYRFUNDAPL-UQDQVLRLSA-N. The full InChI is InChI=1S/C12H13NO2.C12H12.C11H9N3O.C11H18N2O.C10H17N3O.C10H16N2O.C9H12F2N2O.C9H9N3O.C8H7N3O.C7H6N4O/c1-8(12(14)15)6-9-7-13-11-5-3-2-4-10(9)11;1-10-6-8-12(9-7-10)11-4-2-3-5-11;1-7-13-11(15-14-7)9-3-2-8-4-5-12-10(8)6-9;1-8-4-6-11(3,7-5-8)10-12-9(2)13-14-10;1-7-12-10(14-13-7)8-3-5-9(11-2)6-4-8;1-7-4-3-5-9(6-7)10-11-8(2)12-13-10;1-6-12-8(14-13-6)7-2-4-9(10,11)5-3-7;1-6-3-4-10-8(5-6)9-11-7(2)12-13-9;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-5-10-7(12-11-5)6-2-8-4-9-3-6/h2-5,7-8,13H,6H2,1H3,(H,14,15);2,4-9H,3H2,1H3;2-3,5-6H,4H2,1H3;8H,4-7H2,1-3H3;8-9,11H,3-6H2,1-2H3;7,9H,3-6H2,1-2H3;7H,2-5H2,1H3;3-5H,1-2H3;2-5H,1H3;2-4H,1H3/t8-;;;;;;;;;/m0........./s1.

What are the key properties of 1-cyclopenta-1,4-dien-1-yl-4-methylbenzene;5-(4,4-difluorocyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;3-methyl-5-(3-methylcyclohexyl)-1,2,4-oxadiazole;N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole?

1-cyclopenta-1,4-dien-1-yl-4-methylbenzene;5-(4,4-difluorocyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;3-methyl-5-(3-methylcyclohexyl)-1,2,4-oxadiazole;N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole has a molecular weight of 1829.19 g/mol, XLogP of 21.91, 13 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopenta-1,4-dien-1-yl-4-methylbenzene;5-(4,4-difluorocyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;3-methyl-5-(3-methylcyclohexyl)-1,2,4-oxadiazole;N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole is sourced from PubChem (CID 167708074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).