2-[[5-(1-cyclobutylidene-3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]acetaldehyde;1,2-dimethylpyrrolidine;ethane;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide

C34H50N4O4S — CID 162683022

About 2-[[5-(1-cyclobutylidene-3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]acetaldehyde;1,2-dimethylpyrrolidine;ethane;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide

2-[[5-(1-cyclobutylidene-3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]acetaldehyde;1,2-dimethylpyrrolidine;ethane;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide (PubChem CID 162683022) has the molecular formula C34H50N4O4S and a molecular weight of 610.87 g/mol. Its IUPAC name is 2-[[5-(1-cyclobutylidene-3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]acetaldehyde;1,2-dimethylpyrrolidine;ethane;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide.

Molecular Properties

• Compound Name: 2-[[5-(1-cyclobutylidene-3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]acetaldehyde;1,2-dimethylpyrrolidine;ethane;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide
• PubChem CID: 162683022
• Molecular Formula: C34H50N4O4S
• Molecular Weight: 610.87 g/mol
• Exact Mass: 610.36
• IUPAC Name: 2-[[5-(1-cyclobutylidene-3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]acetaldehyde;1,2-dimethylpyrrolidine;ethane;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide
• SMILES: CC.CC(C)C(C=C1CCC1)c1cc(OCC=O)no1.CC1CCCN1C.Cc1ncsc1-c1ccc(CNC=O)cc1
• InChI: InChI=1S/C14H19NO3.C12H12N2OS.C6H13N.C2H6/c1-10(2)12(8-11-4-3-5-11)13-9-14(15-18-13)17-7-6-16;1-9-12(16-8-14-9)11-4-2-10(3-5-11)6-13-7-15;1-6-4-3-5-7(6)2;1-2/h6,8-10,12H,3-5,7H2,1-2H3;2-5,7-8H,6H2,1H3,(H,13,15);6H,3-5H2,1-2H3;1-2H3
• InChIKey: FWPVSJBSXWIMGV-UHFFFAOYSA-N
• XLogP: 7.59
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.87
LogP ≤ 5	7.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-cyclobutylidene-3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]acetaldehyde;1,2-dimethylpyrrolidine;ethane;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide?

The IUPAC name of 2-[[5-(1-cyclobutylidene-3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]acetaldehyde;1,2-dimethylpyrrolidine;ethane;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide (CID 162683022) is 2-[[5-(1-cyclobutylidene-3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]acetaldehyde;1,2-dimethylpyrrolidine;ethane;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide.

What is the SMILES notation for 2-[[5-(1-cyclobutylidene-3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]acetaldehyde;1,2-dimethylpyrrolidine;ethane;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide?

The canonical SMILES for 2-[[5-(1-cyclobutylidene-3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]acetaldehyde;1,2-dimethylpyrrolidine;ethane;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide is CC.CC(C)C(C=C1CCC1)c1cc(OCC=O)no1.CC1CCCN1C.Cc1ncsc1-c1ccc(CNC=O)cc1.

What is the InChIKey of 2-[[5-(1-cyclobutylidene-3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]acetaldehyde;1,2-dimethylpyrrolidine;ethane;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide?

The InChIKey is FWPVSJBSXWIMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3.C12H12N2OS.C6H13N.C2H6/c1-10(2)12(8-11-4-3-5-11)13-9-14(15-18-13)17-7-6-16;1-9-12(16-8-14-9)11-4-2-10(3-5-11)6-13-7-15;1-6-4-3-5-7(6)2;1-2/h6,8-10,12H,3-5,7H2,1-2H3;2-5,7-8H,6H2,1H3,(H,13,15);6H,3-5H2,1-2H3;1-2H3.

What are the key properties of 2-[[5-(1-cyclobutylidene-3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]acetaldehyde;1,2-dimethylpyrrolidine;ethane;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide?

2-[[5-(1-cyclobutylidene-3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]acetaldehyde;1,2-dimethylpyrrolidine;ethane;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide has a molecular weight of 610.87 g/mol, XLogP of 7.59, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(1-cyclobutylidene-3-methylbutan-2-yl)-1,2-oxazol-3-yl]oxy]acetaldehyde;1,2-dimethylpyrrolidine;ethane;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide is sourced from PubChem (CID 162683022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).