5-(4-chlorophenyl)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]furan-2-carboxamide

C25H15Cl3N2O3 — CID 54858044

About 5-(4-chlorophenyl)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]furan-2-carboxamide

5-(4-chlorophenyl)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]furan-2-carboxamide (PubChem CID 54858044) has the molecular formula C25H15Cl3N2O3 and a molecular weight of 497.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]furan-2-carboxamide
• PubChem CID: 54858044
• Molecular Formula: C25H15Cl3N2O3
• Molecular Weight: 497.77 g/mol
• Exact Mass: 496.01
• IUPAC Name: 5-(4-chlorophenyl)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]furan-2-carboxamide
• SMILES: O=C(Nc1ccc(Cc2nc3cc(Cl)cc(Cl)c3o2)cc1)c1ccc(-c2ccc(Cl)cc2)o1
• InChI: InChI=1S/C25H15Cl3N2O3/c26-16-5-3-15(4-6-16)21-9-10-22(32-21)25(31)29-18-7-1-14(2-8-18)11-23-30-20-13-17(27)12-19(28)24(20)33-23/h1-10,12-13H,11H2,(H,29,31)
• InChIKey: MPVQQCLFFYJBEC-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 68.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.77
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]furan-2-carboxamide?

The IUPAC name of 5-(4-chlorophenyl)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]furan-2-carboxamide (CID 54858044) is 5-(4-chlorophenyl)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]furan-2-carboxamide.

What is the SMILES notation for 5-(4-chlorophenyl)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]furan-2-carboxamide?

The canonical SMILES for 5-(4-chlorophenyl)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cc2nc3cc(Cl)cc(Cl)c3o2)cc1)c1ccc(-c2ccc(Cl)cc2)o1.

What is the InChIKey of 5-(4-chlorophenyl)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]furan-2-carboxamide?

The InChIKey is MPVQQCLFFYJBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl3N2O3/c26-16-5-3-15(4-6-16)21-9-10-22(32-21)25(31)29-18-7-1-14(2-8-18)11-23-30-20-13-17(27)12-19(28)24(20)33-23/h1-10,12-13H,11H2,(H,29,31).

What are the key properties of 5-(4-chlorophenyl)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]furan-2-carboxamide?

5-(4-chlorophenyl)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]furan-2-carboxamide has a molecular weight of 497.77 g/mol, XLogP of 7.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 54858044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).