2-[1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C21H27N5O4 — CID 110216072

About 2-[1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-[1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110216072) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-[1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 110216072
• Molecular Formula: C21H27N5O4
• Molecular Weight: 413.48 g/mol
• Exact Mass: 413.21
• IUPAC Name: 2-[1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
• SMILES: CCOc1cc(CCC(=O)N2CCCCC2c2cc3nc(CC)cc(=O)n3[nH]2)on1
• InChI: InChI=1S/C21H27N5O4/c1-3-14-11-21(28)26-18(22-14)13-16(23-26)17-7-5-6-10-25(17)20(27)9-8-15-12-19(24-30-15)29-4-2/h11-13,17,23H,3-10H2,1-2H3
• InChIKey: AACRPHLJBOBYIT-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 105.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.48
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The IUPAC name of 2-[1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110216072) is 2-[1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

What is the SMILES notation for 2-[1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The canonical SMILES for 2-[1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCOc1cc(CCC(=O)N2CCCCC2c2cc3nc(CC)cc(=O)n3[nH]2)on1.

What is the InChIKey of 2-[1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The InChIKey is AACRPHLJBOBYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4/c1-3-14-11-21(28)26-18(22-14)13-16(23-26)17-7-5-6-10-25(17)20(27)9-8-15-12-19(24-30-15)29-4-2/h11-13,17,23H,3-10H2,1-2H3.

What are the key properties of 2-[1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

2-[1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 413.48 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110216072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).