3-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-imidazol-1-yl-5-propan-2-ylaniline;2-methyl-6-propan-2-yl-1H-benzimidazole;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;1-(2-nitro-4-propan-2-ylphenyl)imidazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-yl-1H-indole-6-carbonitrile;5-(4-propan-2-ylphenyl)-1H-pyrazole;2-propan-2-ylquinolin-8-ol

C141H164N26O8S — CID 159145664

About 3-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-imidazol-1-yl-5-propan-2-ylaniline;2-methyl-6-propan-2-yl-1H-benzimidazole;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;1-(2-nitro-4-propan-2-ylphenyl)imidazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-yl-1H-indole-6-carbonitrile;5-(4-propan-2-ylphenyl)-1H-pyrazole;2-propan-2-ylquinolin-8-ol

3-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-imidazol-1-yl-5-propan-2-ylaniline;2-methyl-6-propan-2-yl-1H-benzimidazole;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;1-(2-nitro-4-propan-2-ylphenyl)imidazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-yl-1H-indole-6-carbonitrile;5-(4-propan-2-ylphenyl)-1H-pyrazole;2-propan-2-ylquinolin-8-ol (PubChem CID 159145664) has the molecular formula C141H164N26O8S and a molecular weight of 2383.10 g/mol. Its IUPAC name is 3-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-imidazol-1-yl-5-propan-2-ylaniline;2-methyl-6-propan-2-yl-1H-benzimidazole;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;1-(2-nitro-4-propan-2-ylphenyl)imidazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-yl-1H-indole-6-carbonitrile;5-(4-propan-2-ylphenyl)-1H-pyrazole;2-propan-2-ylquinolin-8-ol.

Molecular Properties

• Compound Name: 3-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-imidazol-1-yl-5-propan-2-ylaniline;2-methyl-6-propan-2-yl-1H-benzimidazole;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;1-(2-nitro-4-propan-2-ylphenyl)imidazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-yl-1H-indole-6-carbonitrile;5-(4-propan-2-ylphenyl)-1H-pyrazole;2-propan-2-ylquinolin-8-ol
• PubChem CID: 159145664
• Molecular Formula: C141H164N26O8S
• Molecular Weight: 2383.10 g/mol
• Exact Mass: 2381.29
• IUPAC Name: 3-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-imidazol-1-yl-5-propan-2-ylaniline;2-methyl-6-propan-2-yl-1H-benzimidazole;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;1-(2-nitro-4-propan-2-ylphenyl)imidazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-yl-1H-indole-6-carbonitrile;5-(4-propan-2-ylphenyl)-1H-pyrazole;2-propan-2-ylquinolin-8-ol
• SMILES: CC(C)c1cc2ccc(C#N)cc2[nH]1.CC(C)c1ccc(-c2ccn[nH]2)cc1.CC(C)c1ccc(-n2ccnc2)c(N)c1.CC(C)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1.CC(C)c1ccc2c(c1)CC(=O)C(=O)N2.CC(C)c1ccc2cccc(O)c2n1.CC(C)c1ccc2nc(N)[nH]c2c1.CCc1noc(-c2ccc(C(C)C)cc2)n1.Cc1nc(-c2ccc(C(C)C)cc2)no1.Cc1nc(-c2cccc(C(C)C)c2)no1.Cc1nc(-c2cnccn2)sc1C(C)C.Cc1nc2ccc(C(C)C)cc2[nH]1
• InChI: InChI=1S/C13H16N2O.C12H13N3O2.C12H15N3.2C12H14N2O.C12H14N2.C12H12N2.C12H13NO2.C12H13NO.C11H13N3S.C11H14N2.C10H13N3/c1-4-12-14-13(16-15-12)11-7-5-10(6-8-11)9(2)3;1-9(2)10-3-4-11(12(7-10)15(16)17)14-6-5-13-8-14;1-9(2)10-3-4-12(11(13)7-10)15-6-5-14-8-15;1-8(2)10-4-6-11(7-5-10)12-13-9(3)15-14-12;1-8(2)10-5-4-6-11(7-10)12-13-9(3)15-14-12;1-9(2)10-3-5-11(6-4-10)12-7-8-13-14-12;1-8(2)11-6-10-4-3-9(7-13)5-12(10)14-11;1-7(2)8-3-4-10-9(5-8)6-11(14)12(15)13-10;1-8(2)10-7-6-9-4-3-5-11(14)12(9)13-10;1-7(2)10-8(3)14-11(15-10)9-6-12-4-5-13-9;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-6(2)7-3-4-8-9(5-7)13-10(11)12-8/h5-9H,4H2,1-3H3;3-9H,1-2H3;3-9H,13H2,1-2H3;2*4-8H,1-3H3;3-9H,1-2H3,(H,13,14);3-6,8,14H,1-2H3;3-5,7H,6H2,1-2H3,(H,13,15);3-8,14H,1-2H3;4-7H,1-3H3;4-7H,1-3H3,(H,12,13);3-6H,1-2H3,(H3,11,12,13)
• InChIKey: KIQLJTYAGXHHBG-UHFFFAOYSA-N
• XLogP: 34.84
• TPSA: 491.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2383.10
LogP ≤ 5	34.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-imidazol-1-yl-5-propan-2-ylaniline;2-methyl-6-propan-2-yl-1H-benzimidazole;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;1-(2-nitro-4-propan-2-ylphenyl)imidazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-yl-1H-indole-6-carbonitrile;5-(4-propan-2-ylphenyl)-1H-pyrazole;2-propan-2-ylquinolin-8-ol?

The IUPAC name of 3-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-imidazol-1-yl-5-propan-2-ylaniline;2-methyl-6-propan-2-yl-1H-benzimidazole;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;1-(2-nitro-4-propan-2-ylphenyl)imidazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-yl-1H-indole-6-carbonitrile;5-(4-propan-2-ylphenyl)-1H-pyrazole;2-propan-2-ylquinolin-8-ol (CID 159145664) is 3-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-imidazol-1-yl-5-propan-2-ylaniline;2-methyl-6-propan-2-yl-1H-benzimidazole;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;1-(2-nitro-4-propan-2-ylphenyl)imidazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-yl-1H-indole-6-carbonitrile;5-(4-propan-2-ylphenyl)-1H-pyrazole;2-propan-2-ylquinolin-8-ol.

What is the SMILES notation for 3-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-imidazol-1-yl-5-propan-2-ylaniline;2-methyl-6-propan-2-yl-1H-benzimidazole;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;1-(2-nitro-4-propan-2-ylphenyl)imidazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-yl-1H-indole-6-carbonitrile;5-(4-propan-2-ylphenyl)-1H-pyrazole;2-propan-2-ylquinolin-8-ol?

The canonical SMILES for 3-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-imidazol-1-yl-5-propan-2-ylaniline;2-methyl-6-propan-2-yl-1H-benzimidazole;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;1-(2-nitro-4-propan-2-ylphenyl)imidazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-yl-1H-indole-6-carbonitrile;5-(4-propan-2-ylphenyl)-1H-pyrazole;2-propan-2-ylquinolin-8-ol is CC(C)c1cc2ccc(C#N)cc2[nH]1.CC(C)c1ccc(-c2ccn[nH]2)cc1.CC(C)c1ccc(-n2ccnc2)c(N)c1.CC(C)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1.CC(C)c1ccc2c(c1)CC(=O)C(=O)N2.CC(C)c1ccc2cccc(O)c2n1.CC(C)c1ccc2nc(N)[nH]c2c1.CCc1noc(-c2ccc(C(C)C)cc2)n1.Cc1nc(-c2ccc(C(C)C)cc2)no1.Cc1nc(-c2cccc(C(C)C)c2)no1.Cc1nc(-c2cnccn2)sc1C(C)C.Cc1nc2ccc(C(C)C)cc2[nH]1.

What is the InChIKey of 3-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-imidazol-1-yl-5-propan-2-ylaniline;2-methyl-6-propan-2-yl-1H-benzimidazole;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;1-(2-nitro-4-propan-2-ylphenyl)imidazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-yl-1H-indole-6-carbonitrile;5-(4-propan-2-ylphenyl)-1H-pyrazole;2-propan-2-ylquinolin-8-ol?

The InChIKey is KIQLJTYAGXHHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.C12H13N3O2.C12H15N3.2C12H14N2O.C12H14N2.C12H12N2.C12H13NO2.C12H13NO.C11H13N3S.C11H14N2.C10H13N3/c1-4-12-14-13(16-15-12)11-7-5-10(6-8-11)9(2)3;1-9(2)10-3-4-11(12(7-10)15(16)17)14-6-5-13-8-14;1-9(2)10-3-4-12(11(13)7-10)15-6-5-14-8-15;1-8(2)10-4-6-11(7-5-10)12-13-9(3)15-14-12;1-8(2)10-5-4-6-11(7-10)12-13-9(3)15-14-12;1-9(2)10-3-5-11(6-4-10)12-7-8-13-14-12;1-8(2)11-6-10-4-3-9(7-13)5-12(10)14-11;1-7(2)8-3-4-10-9(5-8)6-11(14)12(15)13-10;1-8(2)10-7-6-9-4-3-5-11(14)12(9)13-10;1-7(2)10-8(3)14-11(15-10)9-6-12-4-5-13-9;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-6(2)7-3-4-8-9(5-7)13-10(11)12-8/h5-9H,4H2,1-3H3;3-9H,1-2H3;3-9H,13H2,1-2H3;2*4-8H,1-3H3;3-9H,1-2H3,(H,13,14);3-6,8,14H,1-2H3;3-5,7H,6H2,1-2H3,(H,13,15);3-8,14H,1-2H3;4-7H,1-3H3;4-7H,1-3H3,(H,12,13);3-6H,1-2H3,(H3,11,12,13).

What are the key properties of 3-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-imidazol-1-yl-5-propan-2-ylaniline;2-methyl-6-propan-2-yl-1H-benzimidazole;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;1-(2-nitro-4-propan-2-ylphenyl)imidazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-yl-1H-indole-6-carbonitrile;5-(4-propan-2-ylphenyl)-1H-pyrazole;2-propan-2-ylquinolin-8-ol?

3-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-imidazol-1-yl-5-propan-2-ylaniline;2-methyl-6-propan-2-yl-1H-benzimidazole;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;1-(2-nitro-4-propan-2-ylphenyl)imidazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-yl-1H-indole-6-carbonitrile;5-(4-propan-2-ylphenyl)-1H-pyrazole;2-propan-2-ylquinolin-8-ol has a molecular weight of 2383.10 g/mol, XLogP of 34.84, 21 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-imidazol-1-yl-5-propan-2-ylaniline;2-methyl-6-propan-2-yl-1H-benzimidazole;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;1-(2-nitro-4-propan-2-ylphenyl)imidazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-yl-1H-indole-6-carbonitrile;5-(4-propan-2-ylphenyl)-1H-pyrazole;2-propan-2-ylquinolin-8-ol is sourced from PubChem (CID 159145664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).