4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid

C16H21N3O4 — CID 119347045

About 4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid

4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid (PubChem CID 119347045) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid.

Molecular Properties

• Compound Name: 4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
• PubChem CID: 119347045
• Molecular Formula: C16H21N3O4
• Molecular Weight: 319.36 g/mol
• Exact Mass: 319.15
• IUPAC Name: 4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
• SMILES: Cc1noc2nc(C(C)C)cc(C(=O)N(C)CCCC(=O)O)c12
• InChI: InChI=1S/C16H21N3O4/c1-9(2)12-8-11(14-10(3)18-23-15(14)17-12)16(22)19(4)7-5-6-13(20)21/h8-9H,5-7H2,1-4H3,(H,20,21)
• InChIKey: CGLBTVUMUPUQHB-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 96.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.36
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid?

The IUPAC name of 4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid (CID 119347045) is 4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid.

What is the SMILES notation for 4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid?

The canonical SMILES for 4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid is Cc1noc2nc(C(C)C)cc(C(=O)N(C)CCCC(=O)O)c12.

What is the InChIKey of 4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid?

The InChIKey is CGLBTVUMUPUQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-9(2)12-8-11(14-10(3)18-23-15(14)17-12)16(22)19(4)7-5-6-13(20)21/h8-9H,5-7H2,1-4H3,(H,20,21).

What are the key properties of 4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid?

4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid has a molecular weight of 319.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119347045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).