1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide

C22H22N6O3 — CID 154564689

About 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide

1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 154564689) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
• PubChem CID: 154564689
• Molecular Formula: C22H22N6O3
• Molecular Weight: 418.46 g/mol
• Exact Mass: 418.18
• IUPAC Name: 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
• SMILES: Cc1ccc2oc(N3CCC(C(=O)NCc4cc(-c5cccnc5)no4)CC3)nc2n1
• InChI: InChI=1S/C22H22N6O3/c1-14-4-5-19-20(25-14)26-22(30-19)28-9-6-15(7-10-28)21(29)24-13-17-11-18(27-31-17)16-3-2-8-23-12-16/h2-5,8,11-12,15H,6-7,9-10,13H2,1H3,(H,24,29)
• InChIKey: AFYVRLRDOSXFRY-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 110.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.46
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?

The IUPAC name of 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide (CID 154564689) is 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide is Cc1ccc2oc(N3CCC(C(=O)NCc4cc(-c5cccnc5)no4)CC3)nc2n1.

What is the InChIKey of 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?

The InChIKey is AFYVRLRDOSXFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-14-4-5-19-20(25-14)26-22(30-19)28-9-6-15(7-10-28)21(29)24-13-17-11-18(27-31-17)16-3-2-8-23-12-16/h2-5,8,11-12,15H,6-7,9-10,13H2,1H3,(H,24,29).

What are the key properties of 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?

1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 154564689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).