[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone

C18H23N3O3 — CID 70704336

About [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone

[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 70704336) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

• Compound Name: [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
• PubChem CID: 70704336
• Molecular Formula: C18H23N3O3
• Molecular Weight: 329.40 g/mol
• Exact Mass: 329.17
• IUPAC Name: [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
• SMILES: CC(C)c1cc(C(=O)N2CCC(C(O)c3ccccn3)CC2)no1
• InChI: InChI=1S/C18H23N3O3/c1-12(2)16-11-15(20-24-16)18(23)21-9-6-13(7-10-21)17(22)14-5-3-4-8-19-14/h3-5,8,11-13,17,22H,6-7,9-10H2,1-2H3
• InChIKey: YNFMRRNYIPGGOT-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 79.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.40
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?

The IUPAC name of [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (CID 70704336) is [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.

What is the SMILES notation for [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?

The canonical SMILES for [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCC(C(O)c3ccccn3)CC2)no1.

What is the InChIKey of [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?

The InChIKey is YNFMRRNYIPGGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(2)16-11-15(20-24-16)18(23)21-9-6-13(7-10-21)17(22)14-5-3-4-8-19-14/h3-5,8,11-13,17,22H,6-7,9-10H2,1-2H3.

What are the key properties of [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?

[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 70704336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).