N-(2-amino-5-methoxyphenyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride

C18H21ClN4O3 — CID 119421161

About N-(2-amino-5-methoxyphenyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride

N-(2-amino-5-methoxyphenyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride (PubChem CID 119421161) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-(2-amino-5-methoxyphenyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
• PubChem CID: 119421161
• Molecular Formula: C18H21ClN4O3
• Molecular Weight: 376.84 g/mol
• Exact Mass: 376.13
• IUPAC Name: N-(2-amino-5-methoxyphenyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
• SMILES: COc1ccc(N)c(NC(=O)c2cc(C)nc3onc(C(C)C)c23)c1.Cl
• InChI: InChI=1S/C18H20N4O3.ClH/c1-9(2)16-15-12(7-10(3)20-18(15)25-22-16)17(23)21-14-8-11(24-4)5-6-13(14)19;/h5-9H,19H2,1-4H3,(H,21,23);1H
• InChIKey: KMMRGCIIOMUDHN-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 103.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.84
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-(2-amino-5-methoxyphenyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride (CID 119421161) is N-(2-amino-5-methoxyphenyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride.

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

The canonical SMILES for N-(2-amino-5-methoxyphenyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride is COc1ccc(N)c(NC(=O)c2cc(C)nc3onc(C(C)C)c23)c1.Cl.

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

The InChIKey is KMMRGCIIOMUDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3.ClH/c1-9(2)16-15-12(7-10(3)20-18(15)25-22-16)17(23)21-14-8-11(24-4)5-6-13(14)19;/h5-9H,19H2,1-4H3,(H,21,23);1H.

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

N-(2-amino-5-methoxyphenyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride has a molecular weight of 376.84 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-5-methoxyphenyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119421161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).