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

C26H19BrN2O3 — CID 17116974

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

5-(4-bromophenyl)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide (PubChem CID 17116974) has the molecular formula C26H19BrN2O3 and a molecular weight of 487.35 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-bromophenyl)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
• PubChem CID: 17116974
• Molecular Formula: C26H19BrN2O3
• Molecular Weight: 487.35 g/mol
• Exact Mass: 486.06
• IUPAC Name: 5-(4-bromophenyl)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
• SMILES: Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(-c5ccc(Br)cc5)o4)c3)nc2c1
• InChI: InChI=1S/C26H19BrN2O3/c1-15-3-10-23-21(13-15)29-26(32-23)18-5-4-16(2)20(14-18)28-25(30)24-12-11-22(31-24)17-6-8-19(27)9-7-17/h3-14H,1-2H3,(H,28,30)
• InChIKey: QOXWSOSQIGLNNV-UHFFFAOYSA-N
• XLogP: 7.39
• 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	487.35
LogP ≤ 5	7.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-(4-bromophenyl)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide (CID 17116974) is 5-(4-bromophenyl)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide.

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

The canonical SMILES for 5-(4-bromophenyl)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide is Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(-c5ccc(Br)cc5)o4)c3)nc2c1.

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

The InChIKey is QOXWSOSQIGLNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrN2O3/c1-15-3-10-23-21(13-15)29-26(32-23)18-5-4-16(2)20(14-18)28-25(30)24-12-11-22(31-24)17-6-8-19(27)9-7-17/h3-14H,1-2H3,(H,28,30).

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

5-(4-bromophenyl)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 487.35 g/mol, XLogP of 7.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-bromophenyl)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 17116974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).