3-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H22N4O3 — CID 78868309

About 3-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78868309) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 78868309
• Molecular Formula: C20H22N4O3
• Molecular Weight: 366.42 g/mol
• Exact Mass: 366.17
• IUPAC Name: 3-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CNC(=O)c1cccc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)c1C
• InChI: InChI=1S/C20H22N4O3/c1-10(2)16-9-14(17-12(4)24-27-20(17)23-16)19(26)22-15-8-6-7-13(11(15)3)18(25)21-5/h6-10H,1-5H3,(H,21,25)(H,22,26)
• InChIKey: XPBPJWHELKIFOM-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.42
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 3-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78868309) is 3-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 3-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 3-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)c1cccc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)c1C.

What is the InChIKey of 3-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is XPBPJWHELKIFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-10(2)16-9-14(17-12(4)24-27-20(17)23-16)19(26)22-15-8-6-7-13(11(15)3)18(25)21-5/h6-10H,1-5H3,(H,21,25)(H,22,26).

What are the key properties of 3-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

3-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78868309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).