bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-methyl-2-propan-2-ylfuran;3-phenyl-5-propan-2-yl-1,2-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol

C115H145N17O14S3 — CID 165011069

About bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-methyl-2-propan-2-ylfuran;3-phenyl-5-propan-2-yl-1,2-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol

bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-methyl-2-propan-2-ylfuran;3-phenyl-5-propan-2-yl-1,2-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol (PubChem CID 165011069) has the molecular formula C115H145N17O14S3 and a molecular weight of 2085.73 g/mol. Its IUPAC name is bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-methyl-2-propan-2-ylfuran;3-phenyl-5-propan-2-yl-1,2-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol.

Molecular Properties

• Compound Name: bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-methyl-2-propan-2-ylfuran;3-phenyl-5-propan-2-yl-1,2-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol
• PubChem CID: 165011069
• Molecular Formula: C115H145N17O14S3
• Molecular Weight: 2085.73 g/mol
• Exact Mass: 2084.03
• IUPAC Name: bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-methyl-2-propan-2-ylfuran;3-phenyl-5-propan-2-yl-1,2-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol
• SMILES: CC(=O)c1cc(C(C)C)on1.CC(=O)c1cc(C(C)C)on1.CC(C)c1cc(-c2ccccc2)no1.CC(C)c1cc(-c2ccccn2)no1.CC(C)c1nc(-c2ccccc2)co1.CC(C)c1nnc(-c2cccc(O)c2)s1.CC(C)c1nnc(-c2ccccn2)s1.CC(C)c1nnc(-c2cccnc2)s1.CCOC(=O)c1cc(C(C)C)on1.CCc1cc(C(C)C)on1.CCc1cc(C(C)C)on1.Cc1ccoc1C(C)C
• InChI: InChI=1S/2C12H13NO.C11H12N2OS.C11H12N2O.2C10H11N3S.C9H13NO3.2C8H11NO2.2C8H13NO.C8H12O/c1-9(2)12-13-11(8-14-12)10-6-4-3-5-7-10;1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10;1-7(2)10-12-13-11(15-10)8-4-3-5-9(14)6-8;1-8(2)11-7-10(13-14-11)9-5-3-4-6-12-9;1-7(2)9-12-13-10(14-9)8-4-3-5-11-6-8;1-7(2)9-12-13-10(14-9)8-5-3-4-6-11-8;1-4-12-9(11)7-5-8(6(2)3)13-10-7;2*1-5(2)8-4-7(6(3)10)9-11-8;2*1-4-7-5-8(6(2)3)10-9-7;1-6(2)8-7(3)4-5-9-8/h2*3-9H,1-2H3;3-7,14H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;5-6H,4H2,1-3H3;2*4-5H,1-3H3;2*5-6H,4H2,1-3H3;4-6H,1-3H3
• InChIKey: JSCZZQOSFMPHCH-UHFFFAOYSA-N
• XLogP: 31.68
• TPSA: 418.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2085.73
LogP ≤ 5	31.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-methyl-2-propan-2-ylfuran;3-phenyl-5-propan-2-yl-1,2-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol?

The IUPAC name of bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-methyl-2-propan-2-ylfuran;3-phenyl-5-propan-2-yl-1,2-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol (CID 165011069) is bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-methyl-2-propan-2-ylfuran;3-phenyl-5-propan-2-yl-1,2-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol.

What is the SMILES notation for bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-methyl-2-propan-2-ylfuran;3-phenyl-5-propan-2-yl-1,2-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol?

The canonical SMILES for bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-methyl-2-propan-2-ylfuran;3-phenyl-5-propan-2-yl-1,2-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol is CC(=O)c1cc(C(C)C)on1.CC(=O)c1cc(C(C)C)on1.CC(C)c1cc(-c2ccccc2)no1.CC(C)c1cc(-c2ccccn2)no1.CC(C)c1nc(-c2ccccc2)co1.CC(C)c1nnc(-c2cccc(O)c2)s1.CC(C)c1nnc(-c2ccccn2)s1.CC(C)c1nnc(-c2cccnc2)s1.CCOC(=O)c1cc(C(C)C)on1.CCc1cc(C(C)C)on1.CCc1cc(C(C)C)on1.Cc1ccoc1C(C)C.

What is the InChIKey of bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-methyl-2-propan-2-ylfuran;3-phenyl-5-propan-2-yl-1,2-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol?

The InChIKey is JSCZZQOSFMPHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13NO.C11H12N2OS.C11H12N2O.2C10H11N3S.C9H13NO3.2C8H11NO2.2C8H13NO.C8H12O/c1-9(2)12-13-11(8-14-12)10-6-4-3-5-7-10;1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10;1-7(2)10-12-13-11(15-10)8-4-3-5-9(14)6-8;1-8(2)11-7-10(13-14-11)9-5-3-4-6-12-9;1-7(2)9-12-13-10(14-9)8-4-3-5-11-6-8;1-7(2)9-12-13-10(14-9)8-5-3-4-6-11-8;1-4-12-9(11)7-5-8(6(2)3)13-10-7;2*1-5(2)8-4-7(6(3)10)9-11-8;2*1-4-7-5-8(6(2)3)10-9-7;1-6(2)8-7(3)4-5-9-8/h2*3-9H,1-2H3;3-7,14H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;5-6H,4H2,1-3H3;2*4-5H,1-3H3;2*5-6H,4H2,1-3H3;4-6H,1-3H3.

What are the key properties of bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-methyl-2-propan-2-ylfuran;3-phenyl-5-propan-2-yl-1,2-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol?

bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-methyl-2-propan-2-ylfuran;3-phenyl-5-propan-2-yl-1,2-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol has a molecular weight of 2085.73 g/mol, XLogP of 31.68, 24 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-methyl-2-propan-2-ylfuran;3-phenyl-5-propan-2-yl-1,2-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenol is sourced from PubChem (CID 165011069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).