N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethyl-6-imidazol-1-ylpyridin-3-amine

C22H23N5O — CID 155187624

About N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethyl-6-imidazol-1-ylpyridin-3-amine

N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethyl-6-imidazol-1-ylpyridin-3-amine (PubChem CID 155187624) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethyl-6-imidazol-1-ylpyridin-3-amine.

Molecular Properties

• Compound Name: N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethyl-6-imidazol-1-ylpyridin-3-amine
• PubChem CID: 155187624
• Molecular Formula: C22H23N5O
• Molecular Weight: 373.46 g/mol
• Exact Mass: 373.19
• IUPAC Name: N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethyl-6-imidazol-1-ylpyridin-3-amine
• SMILES: CCN(c1ccc(-n2ccnc2)nc1)c1cc(-c2c(C)noc2C)ccc1C
• InChI: InChI=1S/C22H23N5O/c1-5-27(19-8-9-21(24-13-19)26-11-10-23-14-26)20-12-18(7-6-15(20)2)22-16(3)25-28-17(22)4/h6-14H,5H2,1-4H3
• InChIKey: LYANVEDCEZPLGU-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 59.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	373.46
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethyl-6-imidazol-1-ylpyridin-3-amine?

The IUPAC name of N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethyl-6-imidazol-1-ylpyridin-3-amine (CID 155187624) is N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethyl-6-imidazol-1-ylpyridin-3-amine.

What is the SMILES notation for N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethyl-6-imidazol-1-ylpyridin-3-amine?

The canonical SMILES for N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethyl-6-imidazol-1-ylpyridin-3-amine is CCN(c1ccc(-n2ccnc2)nc1)c1cc(-c2c(C)noc2C)ccc1C.

What is the InChIKey of N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethyl-6-imidazol-1-ylpyridin-3-amine?

The InChIKey is LYANVEDCEZPLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-5-27(19-8-9-21(24-13-19)26-11-10-23-14-26)20-12-18(7-6-15(20)2)22-16(3)25-28-17(22)4/h6-14H,5H2,1-4H3.

What are the key properties of N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethyl-6-imidazol-1-ylpyridin-3-amine?

N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethyl-6-imidazol-1-ylpyridin-3-amine has a molecular weight of 373.46 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethyl-6-imidazol-1-ylpyridin-3-amine is sourced from PubChem (CID 155187624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).