N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide

C28H22ClF2N3O2 — CID 90290345

About N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide

N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide (PubChem CID 90290345) has the molecular formula C28H22ClF2N3O2 and a molecular weight of 505.95 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide
• PubChem CID: 90290345
• Molecular Formula: C28H22ClF2N3O2
• Molecular Weight: 505.95 g/mol
• Exact Mass: 505.14
• IUPAC Name: N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide
• SMILES: Cc1ccc2[nH]cc(CC(=O)NC(Cc3cc(F)cc(F)c3)c3cnc(-c4ccc(Cl)cc4)o3)c2c1
• InChI: InChI=1S/C28H22ClF2N3O2/c1-16-2-7-24-23(8-16)19(14-32-24)12-27(35)34-25(11-17-9-21(30)13-22(31)10-17)26-15-33-28(36-26)18-3-5-20(29)6-4-18/h2-10,13-15,25,32H,11-12H2,1H3,(H,34,35)
• InChIKey: YQCSGXKIHDYDJH-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 70.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.95
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide?

The IUPAC name of N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide (CID 90290345) is N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide.

What is the SMILES notation for N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide?

The canonical SMILES for N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide is Cc1ccc2[nH]cc(CC(=O)NC(Cc3cc(F)cc(F)c3)c3cnc(-c4ccc(Cl)cc4)o3)c2c1.

What is the InChIKey of N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide?

The InChIKey is YQCSGXKIHDYDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClF2N3O2/c1-16-2-7-24-23(8-16)19(14-32-24)12-27(35)34-25(11-17-9-21(30)13-22(31)10-17)26-15-33-28(36-26)18-3-5-20(29)6-4-18/h2-10,13-15,25,32H,11-12H2,1H3,(H,34,35).

What are the key properties of N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide?

N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide has a molecular weight of 505.95 g/mol, XLogP of 6.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 90290345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).