[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone

C25H28N2O3 — CID 92734983

About [4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone

[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone (PubChem CID 92734983) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is [4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
• PubChem CID: 92734983
• Molecular Formula: C25H28N2O3
• Molecular Weight: 404.51 g/mol
• Exact Mass: 404.21
• IUPAC Name: [4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
• SMILES: Cc1ccc(OCc2nc(-c3ccc(C(=O)N4CCC[C@@H](C)C4)cc3)oc2C)cc1
• InChI: InChI=1S/C25H28N2O3/c1-17-6-12-22(13-7-17)29-16-23-19(3)30-24(26-23)20-8-10-21(11-9-20)25(28)27-14-4-5-18(2)15-27/h6-13,18H,4-5,14-16H2,1-3H3/t18-/m1/s1
• InChIKey: WYYSELOFBWMOMB-GOSISDBHSA-N
• XLogP: 5.41
• TPSA: 55.57 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.51
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone?

The IUPAC name of [4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone (CID 92734983) is [4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone.

What is the SMILES notation for [4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone?

The canonical SMILES for [4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone is Cc1ccc(OCc2nc(-c3ccc(C(=O)N4CCC[C@@H](C)C4)cc3)oc2C)cc1.

What is the InChIKey of [4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone?

The InChIKey is WYYSELOFBWMOMB-GOSISDBHSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-17-6-12-22(13-7-17)29-16-23-19(3)30-24(26-23)20-8-10-21(11-9-20)25(28)27-14-4-5-18(2)15-27/h6-13,18H,4-5,14-16H2,1-3H3/t18-/m1/s1.

What are the key properties of [4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone?

[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone has a molecular weight of 404.51 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 92734983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).