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

C24H14Cl2N2O3 — CID 3124271

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

5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide (PubChem CID 3124271) has the molecular formula C24H14Cl2N2O3 and a molecular weight of 449.29 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
• PubChem CID: 3124271
• Molecular Formula: C24H14Cl2N2O3
• Molecular Weight: 449.29 g/mol
• Exact Mass: 448.04
• IUPAC Name: 5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
• SMILES: O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1
• InChI: InChI=1S/C24H14Cl2N2O3/c25-15-7-5-14(6-8-15)20-11-12-22(30-20)23(29)27-16-9-10-21-19(13-16)28-24(31-21)17-3-1-2-4-18(17)26/h1-13H,(H,27,29)
• InChIKey: DCFUCSGKVBEXGV-UHFFFAOYSA-N
• XLogP: 7.31
• TPSA: 68.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.29
LogP ≤ 5	7.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide (CID 3124271) is 5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide is O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1.

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

The InChIKey is DCFUCSGKVBEXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2N2O3/c25-15-7-5-14(6-8-15)20-11-12-22(30-20)23(29)27-16-9-10-21-19(13-16)28-24(31-21)17-3-1-2-4-18(17)26/h1-13H,(H,27,29).

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

5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide has a molecular weight of 449.29 g/mol, XLogP of 7.31, 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-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 3124271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).