5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide

C25H16Cl2N2O3 — CID 23966661

About 5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide

5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide (PubChem CID 23966661) has the molecular formula C25H16Cl2N2O3 and a molecular weight of 463.32 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
• PubChem CID: 23966661
• Molecular Formula: C25H16Cl2N2O3
• Molecular Weight: 463.32 g/mol
• Exact Mass: 462.05
• IUPAC Name: 5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
• SMILES: Cc1ccccc1-c1nc2cc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)ccc2o1
• InChI: InChI=1S/C25H16Cl2N2O3/c1-14-5-2-3-6-16(14)25-29-19-13-15(9-10-21(19)32-25)28-24(30)22-12-11-20(31-22)17-7-4-8-18(26)23(17)27/h2-13H,1H3,(H,28,30)
• InChIKey: JYISSFFEMQEASS-UHFFFAOYSA-N
• XLogP: 7.62
• TPSA: 68.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.32
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?

The IUPAC name of 5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide (CID 23966661) is 5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide.

What is the SMILES notation for 5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?

The canonical SMILES for 5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide is Cc1ccccc1-c1nc2cc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)ccc2o1.

What is the InChIKey of 5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?

The InChIKey is JYISSFFEMQEASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2N2O3/c1-14-5-2-3-6-16(14)25-29-19-13-15(9-10-21(19)32-25)28-24(30)22-12-11-20(31-22)17-7-4-8-18(26)23(17)27/h2-13H,1H3,(H,28,30).

What are the key properties of 5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?

5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide has a molecular weight of 463.32 g/mol, XLogP of 7.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 23966661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).