5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide

C24H13Cl3N2O3 — CID 3124272

About 5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide

5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide (PubChem CID 3124272) has the molecular formula C24H13Cl3N2O3 and a molecular weight of 483.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
• PubChem CID: 3124272
• Molecular Formula: C24H13Cl3N2O3
• Molecular Weight: 483.74 g/mol
• Exact Mass: 482.00
• IUPAC Name: 5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
• SMILES: O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1
• InChI: InChI=1S/C24H13Cl3N2O3/c25-15-4-1-13(2-5-15)20-9-10-22(31-20)23(30)28-16-6-8-21-19(12-16)29-24(32-21)14-3-7-17(26)18(27)11-14/h1-12H,(H,28,30)
• InChIKey: WVYRCEAIWGJYAG-UHFFFAOYSA-N
• XLogP: 7.97
• 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	483.74
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?

The IUPAC name of 5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide (CID 3124272) is 5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide.

What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?

The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide is O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1.

What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?

The InChIKey is WVYRCEAIWGJYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl3N2O3/c25-15-4-1-13(2-5-15)20-9-10-22(31-20)23(30)28-16-6-8-21-19(12-16)29-24(32-21)14-3-7-17(26)18(27)11-14/h1-12H,(H,28,30).

What are the key properties of 5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?

5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide has a molecular weight of 483.74 g/mol, XLogP of 7.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 3124272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).