1-benzyl-5-tert-butylpyridin-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;3,6-dihydro-2H-pyran;pentakis(2,2-dimethylpropane);ethane;2-(2-methylimidazol-1-yl)-1,3-thiazole;1-methylpyrazole;1-phenylpyrazole;4-(2-pyrazol-1-ylethyl)morpholine

C97H165N13O4S2 — CID 157398549

About 1-benzyl-5-tert-butylpyridin-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;3,6-dihydro-2H-pyran;pentakis(2,2-dimethylpropane);ethane;2-(2-methylimidazol-1-yl)-1,3-thiazole;1-methylpyrazole;1-phenylpyrazole;4-(2-pyrazol-1-ylethyl)morpholine

1-benzyl-5-tert-butylpyridin-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;3,6-dihydro-2H-pyran;pentakis(2,2-dimethylpropane);ethane;2-(2-methylimidazol-1-yl)-1,3-thiazole;1-methylpyrazole;1-phenylpyrazole;4-(2-pyrazol-1-ylethyl)morpholine (PubChem CID 157398549) has the molecular formula C97H165N13O4S2 and a molecular weight of 1641.61 g/mol. Its IUPAC name is 1-benzyl-5-tert-butylpyridin-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;3,6-dihydro-2H-pyran;pentakis(2,2-dimethylpropane);ethane;2-(2-methylimidazol-1-yl)-1,3-thiazole;1-methylpyrazole;1-phenylpyrazole;4-(2-pyrazol-1-ylethyl)morpholine.

Molecular Properties

• Compound Name: 1-benzyl-5-tert-butylpyridin-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;3,6-dihydro-2H-pyran;pentakis(2,2-dimethylpropane);ethane;2-(2-methylimidazol-1-yl)-1,3-thiazole;1-methylpyrazole;1-phenylpyrazole;4-(2-pyrazol-1-ylethyl)morpholine
• PubChem CID: 157398549
• Molecular Formula: C97H165N13O4S2
• Molecular Weight: 1641.61 g/mol
• Exact Mass: 1640.25
• IUPAC Name: 1-benzyl-5-tert-butylpyridin-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;3,6-dihydro-2H-pyran;pentakis(2,2-dimethylpropane);ethane;2-(2-methylimidazol-1-yl)-1,3-thiazole;1-methylpyrazole;1-phenylpyrazole;4-(2-pyrazol-1-ylethyl)morpholine
• SMILES: C1=CCOCC1.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc(=O)n(Cc2ccccc2)c1.Cc1nc(C)c(C(C)(C)C)s1.Cc1nccn1-c1nccs1.Cc1noc(C)c1C(C)(C)C.Cn1cccn1.c1ccc(-n2cccn2)cc1.c1cnn(CCN2CCOCC2)c1
• InChI: InChI=1S/C16H19NO.C9H15N3O.C9H8N2.C9H15NO.C9H15NS.C7H7N3S.C5H8O.5C5H12.C4H6N2.2C2H6/c1-16(2,3)14-9-10-15(18)17(12-14)11-13-7-5-4-6-8-13;1-2-10-12(3-1)5-4-11-6-8-13-9-7-11;1-2-5-9(6-3-1)11-8-4-7-10-11;1-6-8(9(3,4)5)7(2)11-10-6;1-6-8(9(3,4)5)11-7(2)10-6;1-6-8-2-4-10(6)7-9-3-5-11-7;1-2-4-6-5-3-1;5*1-5(2,3)4;1-6-4-2-3-5-6;2*1-2/h4-10,12H,11H2,1-3H3;1-3H,4-9H2;1-8H;2*1-5H3;2-5H,1H3;1-2H,3-5H2;5*1-4H3;2-4H,1H3;2*1-2H3
• InChIKey: BMWITVLWDKUXOB-UHFFFAOYSA-N
• XLogP: 26.26
• TPSA: 166.79 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 7
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1641.61
LogP ≤ 5	26.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-tert-butylpyridin-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;3,6-dihydro-2H-pyran;pentakis(2,2-dimethylpropane);ethane;2-(2-methylimidazol-1-yl)-1,3-thiazole;1-methylpyrazole;1-phenylpyrazole;4-(2-pyrazol-1-ylethyl)morpholine?

The IUPAC name of 1-benzyl-5-tert-butylpyridin-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;3,6-dihydro-2H-pyran;pentakis(2,2-dimethylpropane);ethane;2-(2-methylimidazol-1-yl)-1,3-thiazole;1-methylpyrazole;1-phenylpyrazole;4-(2-pyrazol-1-ylethyl)morpholine (CID 157398549) is 1-benzyl-5-tert-butylpyridin-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;3,6-dihydro-2H-pyran;pentakis(2,2-dimethylpropane);ethane;2-(2-methylimidazol-1-yl)-1,3-thiazole;1-methylpyrazole;1-phenylpyrazole;4-(2-pyrazol-1-ylethyl)morpholine.

What is the SMILES notation for 1-benzyl-5-tert-butylpyridin-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;3,6-dihydro-2H-pyran;pentakis(2,2-dimethylpropane);ethane;2-(2-methylimidazol-1-yl)-1,3-thiazole;1-methylpyrazole;1-phenylpyrazole;4-(2-pyrazol-1-ylethyl)morpholine?

The canonical SMILES for 1-benzyl-5-tert-butylpyridin-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;3,6-dihydro-2H-pyran;pentakis(2,2-dimethylpropane);ethane;2-(2-methylimidazol-1-yl)-1,3-thiazole;1-methylpyrazole;1-phenylpyrazole;4-(2-pyrazol-1-ylethyl)morpholine is C1=CCOCC1.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc(=O)n(Cc2ccccc2)c1.Cc1nc(C)c(C(C)(C)C)s1.Cc1nccn1-c1nccs1.Cc1noc(C)c1C(C)(C)C.Cn1cccn1.c1ccc(-n2cccn2)cc1.c1cnn(CCN2CCOCC2)c1.

What is the InChIKey of 1-benzyl-5-tert-butylpyridin-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;3,6-dihydro-2H-pyran;pentakis(2,2-dimethylpropane);ethane;2-(2-methylimidazol-1-yl)-1,3-thiazole;1-methylpyrazole;1-phenylpyrazole;4-(2-pyrazol-1-ylethyl)morpholine?

The InChIKey is BMWITVLWDKUXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.C9H15N3O.C9H8N2.C9H15NO.C9H15NS.C7H7N3S.C5H8O.5C5H12.C4H6N2.2C2H6/c1-16(2,3)14-9-10-15(18)17(12-14)11-13-7-5-4-6-8-13;1-2-10-12(3-1)5-4-11-6-8-13-9-7-11;1-2-5-9(6-3-1)11-8-4-7-10-11;1-6-8(9(3,4)5)7(2)11-10-6;1-6-8(9(3,4)5)11-7(2)10-6;1-6-8-2-4-10(6)7-9-3-5-11-7;1-2-4-6-5-3-1;5*1-5(2,3)4;1-6-4-2-3-5-6;2*1-2/h4-10,12H,11H2,1-3H3;1-3H,4-9H2;1-8H;2*1-5H3;2-5H,1H3;1-2H,3-5H2;5*1-4H3;2-4H,1H3;2*1-2H3.

What are the key properties of 1-benzyl-5-tert-butylpyridin-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;3,6-dihydro-2H-pyran;pentakis(2,2-dimethylpropane);ethane;2-(2-methylimidazol-1-yl)-1,3-thiazole;1-methylpyrazole;1-phenylpyrazole;4-(2-pyrazol-1-ylethyl)morpholine?

1-benzyl-5-tert-butylpyridin-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;3,6-dihydro-2H-pyran;pentakis(2,2-dimethylpropane);ethane;2-(2-methylimidazol-1-yl)-1,3-thiazole;1-methylpyrazole;1-phenylpyrazole;4-(2-pyrazol-1-ylethyl)morpholine has a molecular weight of 1641.61 g/mol, XLogP of 26.26, 7 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-5-tert-butylpyridin-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;3,6-dihydro-2H-pyran;pentakis(2,2-dimethylpropane);ethane;2-(2-methylimidazol-1-yl)-1,3-thiazole;1-methylpyrazole;1-phenylpyrazole;4-(2-pyrazol-1-ylethyl)morpholine is sourced from PubChem (CID 157398549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).