N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)acetamide

C26H19ClF2N4O3 — CID 90281445

About N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)acetamide

N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)acetamide (PubChem CID 90281445) has the molecular formula C26H19ClF2N4O3 and a molecular weight of 508.91 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)acetamide
• PubChem CID: 90281445
• Molecular Formula: C26H19ClF2N4O3
• Molecular Weight: 508.91 g/mol
• Exact Mass: 508.11
• IUPAC Name: N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)acetamide
• SMILES: O=C(Cc1c[nH]c2ccc(=O)[nH]c12)NC(Cc1cc(F)cc(F)c1)c1cnc(-c2ccc(Cl)cc2)o1
• InChI: InChI=1S/C26H19ClF2N4O3/c27-17-3-1-15(2-4-17)26-31-13-22(36-26)21(9-14-7-18(28)11-19(29)8-14)32-24(35)10-16-12-30-20-5-6-23(34)33-25(16)20/h1-8,11-13,21,30H,9-10H2,(H,32,35)(H,33,34)
• InChIKey: FPBOJIUDLVFXII-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 103.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.91
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

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-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)acetamide?

The IUPAC name of N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)acetamide (CID 90281445) is N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-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-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)acetamide?

The canonical SMILES for N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)acetamide is O=C(Cc1c[nH]c2ccc(=O)[nH]c12)NC(Cc1cc(F)cc(F)c1)c1cnc(-c2ccc(Cl)cc2)o1.

What is the InChIKey of N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)acetamide?

The InChIKey is FPBOJIUDLVFXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF2N4O3/c27-17-3-1-15(2-4-17)26-31-13-22(36-26)21(9-14-7-18(28)11-19(29)8-14)32-24(35)10-16-12-30-20-5-6-23(34)33-25(16)20/h1-8,11-13,21,30H,9-10H2,(H,32,35)(H,33,34).

What are the key properties of N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)acetamide?

N-[1-[2-(4-chlorophenyl)-1,3-oxazol-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)acetamide has a molecular weight of 508.91 g/mol, XLogP of 5.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 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-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 90281445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).