2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide

C21H23N3O2 — CID 166296297

About 2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide

2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide (PubChem CID 166296297) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide
• PubChem CID: 166296297
• Molecular Formula: C21H23N3O2
• Molecular Weight: 349.43 g/mol
• Exact Mass: 349.18
• IUPAC Name: 2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide
• SMILES: Cc1cc(C(=O)NCCc2nc(-c3ccccc3)oc2C)c(C)nc1C
• InChI: InChI=1S/C21H23N3O2/c1-13-12-18(15(3)23-14(13)2)20(25)22-11-10-19-16(4)26-21(24-19)17-8-6-5-7-9-17/h5-9,12H,10-11H2,1-4H3,(H,22,25)
• InChIKey: VMSYZEIKHSWQMF-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.43
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide?

The IUPAC name of 2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide (CID 166296297) is 2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide.

What is the SMILES notation for 2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide?

The canonical SMILES for 2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide is Cc1cc(C(=O)NCCc2nc(-c3ccccc3)oc2C)c(C)nc1C.

What is the InChIKey of 2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide?

The InChIKey is VMSYZEIKHSWQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13-12-18(15(3)23-14(13)2)20(25)22-11-10-19-16(4)26-21(24-19)17-8-6-5-7-9-17/h5-9,12H,10-11H2,1-4H3,(H,22,25).

What are the key properties of 2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide?

2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 166296297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).