1-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]ethanimine

C24H31N3O — CID 154719799

About 1-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]ethanimine

1-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]ethanimine (PubChem CID 154719799) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]ethanimine.

Molecular Properties

• Compound Name: 1-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]ethanimine
• PubChem CID: 154719799
• Molecular Formula: C24H31N3O
• Molecular Weight: 377.53 g/mol
• Exact Mass: 377.25
• IUPAC Name: 1-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]ethanimine
• SMILES: C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(C2=NC(C)(C)CO2)n1
• InChI: InChI=1S/C24H31N3O/c1-15(2)18-10-8-11-19(16(3)4)22(18)25-17(5)20-12-9-13-21(26-20)23-27-24(6,7)14-28-23/h8-13,15-16H,14H2,1-7H3/b25-17+
• InChIKey: KASJTDUDYSGNGK-KOEQRZSOSA-N
• XLogP: 6.02
• TPSA: 46.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	377.53
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]ethanimine?

The IUPAC name of 1-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]ethanimine (CID 154719799) is 1-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]ethanimine.

What is the SMILES notation for 1-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]ethanimine?

The canonical SMILES for 1-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]ethanimine is C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(C2=NC(C)(C)CO2)n1.

What is the InChIKey of 1-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]ethanimine?

The InChIKey is KASJTDUDYSGNGK-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H31N3O/c1-15(2)18-10-8-11-19(16(3)4)22(18)25-17(5)20-12-9-13-21(26-20)23-27-24(6,7)14-28-23/h8-13,15-16H,14H2,1-7H3/b25-17+.

What are the key properties of 1-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]ethanimine?

1-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]ethanimine has a molecular weight of 377.53 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]ethanimine is sourced from PubChem (CID 154719799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).