(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone

C17H21N3O2 — CID 40875796

About (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone

(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 40875796) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
• PubChem CID: 40875796
• Molecular Formula: C17H21N3O2
• Molecular Weight: 299.37 g/mol
• Exact Mass: 299.16
• IUPAC Name: (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
• SMILES: Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@H](C)C3)c12
• InChI: InChI=1S/C17H21N3O2/c1-10-4-3-7-20(9-10)17(21)13-8-14(12-5-6-12)18-16-15(13)11(2)19-22-16/h8,10,12H,3-7,9H2,1-2H3/t10-/m0/s1
• InChIKey: QZXRJACUYXQUDD-JTQLQIEISA-N
• XLogP: 3.28
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.37
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?

The IUPAC name of (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone (CID 40875796) is (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone.

What is the SMILES notation for (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?

The canonical SMILES for (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone is Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@H](C)C3)c12.

What is the InChIKey of (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?

The InChIKey is QZXRJACUYXQUDD-JTQLQIEISA-N. The full InChI is InChI=1S/C17H21N3O2/c1-10-4-3-7-20(9-10)17(21)13-8-14(12-5-6-12)18-16-15(13)11(2)19-22-16/h8,10,12H,3-7,9H2,1-2H3/t10-/m0/s1.

What are the key properties of (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?

(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 299.37 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 40875796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).