2-[2-[3-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]phenyl]phenyl]acetic acid

C30H31N3O4 — CID 69496204

About 2-[2-[3-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]phenyl]phenyl]acetic acid

2-[2-[3-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]phenyl]phenyl]acetic acid (PubChem CID 69496204) has the molecular formula C30H31N3O4 and a molecular weight of 497.60 g/mol. Its IUPAC name is 2-[2-[3-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]phenyl]phenyl]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[3-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]phenyl]phenyl]acetic acid
• PubChem CID: 69496204
• Molecular Formula: C30H31N3O4
• Molecular Weight: 497.60 g/mol
• Exact Mass: 497.23
• IUPAC Name: 2-[2-[3-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]phenyl]phenyl]acetic acid
• SMILES: Cc1oc(-c2ccc(N3CCCCC3)nc2)nc1CCOc1cccc(-c2ccccc2CC(=O)O)c1
• InChI: InChI=1S/C30H31N3O4/c1-21-27(32-30(37-21)24-12-13-28(31-20-24)33-15-5-2-6-16-33)14-17-36-25-10-7-9-22(18-25)26-11-4-3-8-23(26)19-29(34)35/h3-4,7-13,18,20H,2,5-6,14-17,19H2,1H3,(H,34,35)
• InChIKey: FLLIMSPNAZHPFN-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 88.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.60
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]phenyl]phenyl]acetic acid?

The IUPAC name of 2-[2-[3-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]phenyl]phenyl]acetic acid (CID 69496204) is 2-[2-[3-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]phenyl]phenyl]acetic acid.

What is the SMILES notation for 2-[2-[3-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]phenyl]phenyl]acetic acid?

The canonical SMILES for 2-[2-[3-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]phenyl]phenyl]acetic acid is Cc1oc(-c2ccc(N3CCCCC3)nc2)nc1CCOc1cccc(-c2ccccc2CC(=O)O)c1.

What is the InChIKey of 2-[2-[3-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]phenyl]phenyl]acetic acid?

The InChIKey is FLLIMSPNAZHPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O4/c1-21-27(32-30(37-21)24-12-13-28(31-20-24)33-15-5-2-6-16-33)14-17-36-25-10-7-9-22(18-25)26-11-4-3-8-23(26)19-29(34)35/h3-4,7-13,18,20H,2,5-6,14-17,19H2,1H3,(H,34,35).

What are the key properties of 2-[2-[3-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]phenyl]phenyl]acetic acid?

2-[2-[3-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]phenyl]phenyl]acetic acid has a molecular weight of 497.60 g/mol, XLogP of 5.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]phenyl]phenyl]acetic acid is sourced from PubChem (CID 69496204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).