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

C23H25N3O4 — CID 125022735

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

[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 125022735) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
• PubChem CID: 125022735
• Molecular Formula: C23H25N3O4
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.18
• IUPAC Name: [(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
• SMILES: COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cccnc4OC)C3)o2)c1
• InChI: InChI=1S/C23H25N3O4/c1-28-18-8-3-6-16(12-18)13-19-14-25-21(30-19)17-7-5-11-26(15-17)23(27)20-9-4-10-24-22(20)29-2/h3-4,6,8-10,12,14,17H,5,7,11,13,15H2,1-2H3/t17-/m1/s1
• InChIKey: YSQUQBUTFMJZSW-QGZVFWFLSA-N
• XLogP: 3.70
• TPSA: 77.69 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (CID 125022735) is [(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

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

The canonical SMILES for [(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cccnc4OC)C3)o2)c1.

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

The InChIKey is YSQUQBUTFMJZSW-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-28-18-8-3-6-16(12-18)13-19-14-25-21(30-19)17-7-5-11-26(15-17)23(27)20-9-4-10-24-22(20)29-2/h3-4,6,8-10,12,14,17H,5,7,11,13,15H2,1-2H3/t17-/m1/s1.

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

[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 407.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 125022735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).