6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

C16H21N5O3 — CID 136566934

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 136566934) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
• PubChem CID: 136566934
• Molecular Formula: C16H21N5O3
• Molecular Weight: 331.38 g/mol
• Exact Mass: 331.16
• IUPAC Name: 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
• SMILES: Cc1noc(CC2CCCN(C(=O)c3cc4n(n3)CCCO4)C2)n1
• InChI: InChI=1S/C16H21N5O3/c1-11-17-14(24-19-11)8-12-4-2-5-20(10-12)16(22)13-9-15-21(18-13)6-3-7-23-15/h9,12H,2-8,10H2,1H3
• InChIKey: AFLVBSSGRWVDLR-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 86.28 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.38
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 136566934) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is Cc1noc(CC2CCCN(C(=O)c3cc4n(n3)CCCO4)C2)n1.

What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The InChIKey is AFLVBSSGRWVDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-11-17-14(24-19-11)8-12-4-2-5-20(10-12)16(22)13-9-15-21(18-13)6-3-7-23-15/h9,12H,2-8,10H2,1H3.

What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 331.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 136566934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).