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

C20H21N3O4 — CID 78830434

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

benzyl 2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetate (PubChem CID 78830434) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is benzyl 2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetate.

Molecular Properties

• Compound Name: benzyl 2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetate
• PubChem CID: 78830434
• Molecular Formula: C20H21N3O4
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.15
• IUPAC Name: benzyl 2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetate
• SMILES: Cc1noc2nc(C(C)C)cc(C(=O)NCC(=O)OCc3ccccc3)c12
• InChI: InChI=1S/C20H21N3O4/c1-12(2)16-9-15(18-13(3)23-27-20(18)22-16)19(25)21-10-17(24)26-11-14-7-5-4-6-8-14/h4-9,12H,10-11H2,1-3H3,(H,21,25)
• InChIKey: CNPHDBXMLKMZGI-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 94.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of benzyl 2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetate (CID 78830434) is benzyl 2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetate.

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

The canonical SMILES for benzyl 2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetate is Cc1noc2nc(C(C)C)cc(C(=O)NCC(=O)OCc3ccccc3)c12.

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

The InChIKey is CNPHDBXMLKMZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-12(2)16-9-15(18-13(3)23-27-20(18)22-16)19(25)21-10-17(24)26-11-14-7-5-4-6-8-14/h4-9,12H,10-11H2,1-3H3,(H,21,25).

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

benzyl 2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetate has a molecular weight of 367.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetate is sourced from PubChem (CID 78830434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).