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

C19H19N3O4 — CID 119353215

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

2-[2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]acetic acid (PubChem CID 119353215) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]acetic acid
• PubChem CID: 119353215
• Molecular Formula: C19H19N3O4
• Molecular Weight: 353.38 g/mol
• Exact Mass: 353.14
• IUPAC Name: 2-[2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]acetic acid
• SMILES: Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccccc3CC(=O)O)c12
• InChI: InChI=1S/C19H19N3O4/c1-10(2)15-9-13(17-11(3)22-26-19(17)21-15)18(25)20-14-7-5-4-6-12(14)8-16(23)24/h4-7,9-10H,8H2,1-3H3,(H,20,25)(H,23,24)
• InChIKey: XHAYTIDYZUGRLA-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 105.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.38
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]acetic acid (CID 119353215) is 2-[2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]acetic acid.

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

The canonical SMILES for 2-[2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]acetic acid is Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccccc3CC(=O)O)c12.

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

The InChIKey is XHAYTIDYZUGRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-10(2)15-9-13(17-11(3)22-26-19(17)21-15)18(25)20-14-7-5-4-6-12(14)8-16(23)24/h4-7,9-10H,8H2,1-3H3,(H,20,25)(H,23,24).

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

2-[2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]acetic acid has a molecular weight of 353.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 119353215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).