6-cyclopropyl-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C17H20N4O3 — CID 118774783

About 6-cyclopropyl-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 118774783) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 118774783
• Molecular Formula: C17H20N4O3
• Molecular Weight: 328.37 g/mol
• Exact Mass: 328.15
• IUPAC Name: 6-cyclopropyl-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCC1=NOC(CNC(=O)c2cc(C3CC3)nc3onc(C)c23)C1
• InChI: InChI=1S/C17H20N4O3/c1-3-11-6-12(23-21-11)8-18-16(22)13-7-14(10-4-5-10)19-17-15(13)9(2)20-24-17/h7,10,12H,3-6,8H2,1-2H3,(H,18,22)
• InChIKey: SGQOTEFULIQABO-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 89.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.37
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 118774783) is 6-cyclopropyl-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCC1=NOC(CNC(=O)c2cc(C3CC3)nc3onc(C)c23)C1.

What is the InChIKey of 6-cyclopropyl-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is SGQOTEFULIQABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-3-11-6-12(23-21-11)8-18-16(22)13-7-14(10-4-5-10)19-17-15(13)9(2)20-24-17/h7,10,12H,3-6,8H2,1-2H3,(H,18,22).

What are the key properties of 6-cyclopropyl-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

6-cyclopropyl-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 118774783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).