ethyl 2-[2-chloro-4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]phenoxy]acetate

C25H24Cl3NO5 — CID 90865655

About ethyl 2-[2-chloro-4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]phenoxy]acetate

ethyl 2-[2-chloro-4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]phenoxy]acetate (PubChem CID 90865655) has the molecular formula C25H24Cl3NO5 and a molecular weight of 524.83 g/mol. Its IUPAC name is ethyl 2-[2-chloro-4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]phenoxy]acetate.

Molecular Properties

• Compound Name: ethyl 2-[2-chloro-4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]phenoxy]acetate
• PubChem CID: 90865655
• Molecular Formula: C25H24Cl3NO5
• Molecular Weight: 524.83 g/mol
• Exact Mass: 523.07
• IUPAC Name: ethyl 2-[2-chloro-4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]phenoxy]acetate
• SMILES: CCOC(=O)COc1ccc(C(=O)CCc2nc(-c3ccc(Cl)cc3Cl)oc2C(C)C)cc1Cl
• InChI: InChI=1S/C25H24Cl3NO5/c1-4-32-23(31)13-33-22-10-5-15(11-19(22)28)21(30)9-8-20-24(14(2)3)34-25(29-20)17-7-6-16(26)12-18(17)27/h5-7,10-12,14H,4,8-9,13H2,1-3H3
• InChIKey: HJSSCYWIBWJMRT-UHFFFAOYSA-N
• XLogP: 7.18
• TPSA: 78.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.83
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-chloro-4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]phenoxy]acetate?

The IUPAC name of ethyl 2-[2-chloro-4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]phenoxy]acetate (CID 90865655) is ethyl 2-[2-chloro-4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]phenoxy]acetate.

What is the SMILES notation for ethyl 2-[2-chloro-4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]phenoxy]acetate?

The canonical SMILES for ethyl 2-[2-chloro-4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]phenoxy]acetate is CCOC(=O)COc1ccc(C(=O)CCc2nc(-c3ccc(Cl)cc3Cl)oc2C(C)C)cc1Cl.

What is the InChIKey of ethyl 2-[2-chloro-4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]phenoxy]acetate?

The InChIKey is HJSSCYWIBWJMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl3NO5/c1-4-32-23(31)13-33-22-10-5-15(11-19(22)28)21(30)9-8-20-24(14(2)3)34-25(29-20)17-7-6-16(26)12-18(17)27/h5-7,10-12,14H,4,8-9,13H2,1-3H3.

What are the key properties of ethyl 2-[2-chloro-4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]phenoxy]acetate?

ethyl 2-[2-chloro-4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]phenoxy]acetate has a molecular weight of 524.83 g/mol, XLogP of 7.18, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-chloro-4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]phenoxy]acetate is sourced from PubChem (CID 90865655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).