pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone

C23H26N4O2 — CID 92572169

About pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone

pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone (PubChem CID 92572169) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone.

Molecular Properties

• Compound Name: pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
• PubChem CID: 92572169
• Molecular Formula: C23H26N4O2
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.21
• IUPAC Name: pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
• SMILES: O=C(c1cc([C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1)N1CCCC1
• InChI: InChI=1S/C23H26N4O2/c28-23(27-11-1-2-12-27)22-14-21(25-29-22)19-6-4-10-26(16-19)15-17-7-8-20-18(13-17)5-3-9-24-20/h3,5,7-9,13-14,19H,1-2,4,6,10-12,15-16H2/t19-/m1/s1
• InChIKey: WRSCDVSYIYSHDM-LJQANCHMSA-N
• XLogP: 3.84
• TPSA: 62.47 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone?

The IUPAC name of pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone (CID 92572169) is pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone.

What is the SMILES notation for pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone?

The canonical SMILES for pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone is O=C(c1cc([C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1)N1CCCC1.

What is the InChIKey of pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone?

The InChIKey is WRSCDVSYIYSHDM-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-23(27-11-1-2-12-27)22-14-21(25-29-22)19-6-4-10-26(16-19)15-17-7-8-20-18(13-17)5-3-9-24-20/h3,5,7-9,13-14,19H,1-2,4,6,10-12,15-16H2/t19-/m1/s1.

What are the key properties of pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone?

pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone has a molecular weight of 390.49 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 92572169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).