N-[cyano-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide

C26H22Cl2N4O2 — CID 59407426

About N-[cyano-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide

N-[cyano-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 59407426) has the molecular formula C26H22Cl2N4O2 and a molecular weight of 493.39 g/mol. Its IUPAC name is N-[cyano-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-[cyano-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 59407426
• Molecular Formula: C26H22Cl2N4O2
• Molecular Weight: 493.39 g/mol
• Exact Mass: 492.11
• IUPAC Name: N-[cyano-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide
• SMILES: CC(=O)N(Cc1ccccn1)C(C#N)c1ccc(C2=NOC(C)(c3cc(Cl)cc(Cl)c3)C2)cc1
• InChI: InChI=1S/C26H22Cl2N4O2/c1-17(33)32(16-23-5-3-4-10-30-23)25(15-29)19-8-6-18(7-9-19)24-14-26(2,34-31-24)20-11-21(27)13-22(28)12-20/h3-13,25H,14,16H2,1-2H3
• InChIKey: VUKFWLXOUPVXPO-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 78.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.39
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[cyano-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of N-[cyano-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide (CID 59407426) is N-[cyano-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for N-[cyano-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for N-[cyano-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide is CC(=O)N(Cc1ccccn1)C(C#N)c1ccc(C2=NOC(C)(c3cc(Cl)cc(Cl)c3)C2)cc1.

What is the InChIKey of N-[cyano-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is VUKFWLXOUPVXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N4O2/c1-17(33)32(16-23-5-3-4-10-30-23)25(15-29)19-8-6-18(7-9-19)24-14-26(2,34-31-24)20-11-21(27)13-22(28)12-20/h3-13,25H,14,16H2,1-2H3.

What are the key properties of N-[cyano-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide?

N-[cyano-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 493.39 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[cyano-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 59407426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).