[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone

C23H25N3O3 — CID 124995619

About [(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone

[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone (PubChem CID 124995619) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
• PubChem CID: 124995619
• Molecular Formula: C23H25N3O3
• Molecular Weight: 391.47 g/mol
• Exact Mass: 391.19
• IUPAC Name: [(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
• SMILES: COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)c4ncccc4C)C3)o2)c1
• InChI: InChI=1S/C23H25N3O3/c1-16-6-4-10-24-21(16)23(27)26-11-5-8-18(15-26)22-25-14-20(29-22)13-17-7-3-9-19(12-17)28-2/h3-4,6-7,9-10,12,14,18H,5,8,11,13,15H2,1-2H3/t18-/m0/s1
• InChIKey: QNKLOLNJXLMRGO-SFHVURJKSA-N
• XLogP: 4.00
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone?

The IUPAC name of [(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone (CID 124995619) is [(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone.

What is the SMILES notation for [(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone?

The canonical SMILES for [(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone is COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)c4ncccc4C)C3)o2)c1.

What is the InChIKey of [(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone?

The InChIKey is QNKLOLNJXLMRGO-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-6-4-10-24-21(16)23(27)26-11-5-8-18(15-26)22-25-14-20(29-22)13-17-7-3-9-19(12-17)28-2/h3-4,6-7,9-10,12,14,18H,5,8,11,13,15H2,1-2H3/t18-/m0/s1.

What are the key properties of [(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone?

[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone has a molecular weight of 391.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 124995619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).