N-cyclopropyl-3-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide

C23H26N4O3 — CID 92601009

About N-cyclopropyl-3-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide

N-cyclopropyl-3-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 92601009) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-cyclopropyl-3-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-3-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
• PubChem CID: 92601009
• Molecular Formula: C23H26N4O3
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.20
• IUPAC Name: N-cyclopropyl-3-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
• SMILES: COc1cccc2ccc(CN3CCC[C@H](c4cc(C(=O)NC5CC5)on4)C3)nc12
• InChI: InChI=1S/C23H26N4O3/c1-29-20-6-2-4-15-7-8-18(24-22(15)20)14-27-11-3-5-16(13-27)19-12-21(30-26-19)23(28)25-17-9-10-17/h2,4,6-8,12,16-17H,3,5,9-11,13-14H2,1H3,(H,25,28)/t16-/m0/s1
• InChIKey: UPWUWHQVPNJQQB-INIZCTEOSA-N
• XLogP: 3.50
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?

The IUPAC name of N-cyclopropyl-3-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide (CID 92601009) is N-cyclopropyl-3-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-cyclopropyl-3-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-cyclopropyl-3-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide is COc1cccc2ccc(CN3CCC[C@H](c4cc(C(=O)NC5CC5)on4)C3)nc12.

What is the InChIKey of N-cyclopropyl-3-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?

The InChIKey is UPWUWHQVPNJQQB-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-29-20-6-2-4-15-7-8-18(24-22(15)20)14-27-11-3-5-16(13-27)19-12-21(30-26-19)23(28)25-17-9-10-17/h2,4,6-8,12,16-17H,3,5,9-11,13-14H2,1H3,(H,25,28)/t16-/m0/s1.

What are the key properties of N-cyclopropyl-3-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?

N-cyclopropyl-3-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92601009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).