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

C21H19N5O3 — CID 78861772

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

3-methyl-6-propan-2-yl-N-(3-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78861772) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-N-(3-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-6-propan-2-yl-N-(3-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 78861772
• Molecular Formula: C21H19N5O3
• Molecular Weight: 389.42 g/mol
• Exact Mass: 389.15
• IUPAC Name: 3-methyl-6-propan-2-yl-N-(3-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1noc2nc(C(C)C)cc(C(=O)Nc3cccc(Oc4cnccn4)c3)c12
• InChI: InChI=1S/C21H19N5O3/c1-12(2)17-10-16(19-13(3)26-29-21(19)25-17)20(27)24-14-5-4-6-15(9-14)28-18-11-22-7-8-23-18/h4-12H,1-3H3,(H,24,27)
• InChIKey: RGVQYWPWACYTNB-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 103.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.42
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-methyl-6-propan-2-yl-N-(3-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78861772) is 3-methyl-6-propan-2-yl-N-(3-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 3-methyl-6-propan-2-yl-N-(3-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C(C)C)cc(C(=O)Nc3cccc(Oc4cnccn4)c3)c12.

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

The InChIKey is RGVQYWPWACYTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-12(2)17-10-16(19-13(3)26-29-21(19)25-17)20(27)24-14-5-4-6-15(9-14)28-18-11-22-7-8-23-18/h4-12H,1-3H3,(H,24,27).

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

3-methyl-6-propan-2-yl-N-(3-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-6-propan-2-yl-N-(3-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78861772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).