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

C22H19ClN2O3 — CID 4680638

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

N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide (PubChem CID 4680638) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide
• PubChem CID: 4680638
• Molecular Formula: C22H19ClN2O3
• Molecular Weight: 394.86 g/mol
• Exact Mass: 394.11
• IUPAC Name: N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide
• SMILES: CCC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccco4)c3)nc2c1
• InChI: InChI=1S/C22H19ClN2O3/c1-3-13(2)14-7-9-19-18(11-14)25-22(28-19)15-6-8-16(23)17(12-15)24-21(26)20-5-4-10-27-20/h4-13H,3H2,1-2H3,(H,24,26)
• InChIKey: RURJFPUVQBFYMS-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 68.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.86
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide (CID 4680638) is N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide.

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

The canonical SMILES for N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide is CCC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccco4)c3)nc2c1.

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

The InChIKey is RURJFPUVQBFYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-3-13(2)14-7-9-19-18(11-14)25-22(28-19)15-6-8-16(23)17(12-15)24-21(26)20-5-4-10-27-20/h4-13H,3H2,1-2H3,(H,24,26).

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

N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 6.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide is sourced from PubChem (CID 4680638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).