N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide

C25H21Cl2N3O4 — CID 112827759

About N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide (PubChem CID 112827759) has the molecular formula C25H21Cl2N3O4 and a molecular weight of 498.37 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
• PubChem CID: 112827759
• Molecular Formula: C25H21Cl2N3O4
• Molecular Weight: 498.37 g/mol
• Exact Mass: 497.09
• IUPAC Name: N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
• SMILES: Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)cc1
• InChI: InChI=1S/C25H21Cl2N3O4/c1-15-20(16(2)34-30-15)14-32-19-9-7-17(8-10-19)11-24(31)29-22-5-3-4-6-23(22)33-25-21(27)12-18(26)13-28-25/h3-10,12-13H,11,14H2,1-2H3,(H,29,31)
• InChIKey: VATKBPKPILJTQY-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.37
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?

The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide (CID 112827759) is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide.

What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?

The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide is Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)cc1.

What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?

The InChIKey is VATKBPKPILJTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O4/c1-15-20(16(2)34-30-15)14-32-19-9-7-17(8-10-19)11-24(31)29-22-5-3-4-6-23(22)33-25-21(27)12-18(26)13-28-25/h3-10,12-13H,11,14H2,1-2H3,(H,29,31).

What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide has a molecular weight of 498.37 g/mol, XLogP of 6.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 112827759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).