3,5-dimethyl-N-[2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,2-oxazole-4-carboxamide

C23H21N5O3 — CID 136816395

About 3,5-dimethyl-N-[2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,2-oxazole-4-carboxamide (PubChem CID 136816395) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3,5-dimethyl-N-[2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,2-oxazole-4-carboxamide
• PubChem CID: 136816395
• Molecular Formula: C23H21N5O3
• Molecular Weight: 415.45 g/mol
• Exact Mass: 415.16
• IUPAC Name: 3,5-dimethyl-N-[2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,2-oxazole-4-carboxamide
• SMILES: Cc1noc(C)c1C(=O)NC(Cc1cc(=O)[nH]c(-c2cccnc2)n1)c1ccccc1
• InChI: InChI=1S/C23H21N5O3/c1-14-21(15(2)31-28-14)23(30)26-19(16-7-4-3-5-8-16)11-18-12-20(29)27-22(25-18)17-9-6-10-24-13-17/h3-10,12-13,19H,11H2,1-2H3,(H,26,30)(H,25,27,29)
• InChIKey: VJYBGAILYZCZSO-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 113.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.45
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,2-oxazole-4-carboxamide?

The IUPAC name of 3,5-dimethyl-N-[2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,2-oxazole-4-carboxamide (CID 136816395) is 3,5-dimethyl-N-[2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 3,5-dimethyl-N-[2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,2-oxazole-4-carboxamide?

The canonical SMILES for 3,5-dimethyl-N-[2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC(Cc1cc(=O)[nH]c(-c2cccnc2)n1)c1ccccc1.

What is the InChIKey of 3,5-dimethyl-N-[2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,2-oxazole-4-carboxamide?

The InChIKey is VJYBGAILYZCZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-14-21(15(2)31-28-14)23(30)26-19(16-7-4-3-5-8-16)11-18-12-20(29)27-22(25-18)17-9-6-10-24-13-17/h3-10,12-13,19H,11H2,1-2H3,(H,26,30)(H,25,27,29).

What are the key properties of 3,5-dimethyl-N-[2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,2-oxazole-4-carboxamide?

3,5-dimethyl-N-[2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-N-[2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 136816395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).