N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

C26H18FN3O4 — CID 55707486

About N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 55707486) has the molecular formula C26H18FN3O4 and a molecular weight of 455.45 g/mol. Its IUPAC name is N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
• PubChem CID: 55707486
• Molecular Formula: C26H18FN3O4
• Molecular Weight: 455.45 g/mol
• Exact Mass: 455.13
• IUPAC Name: N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
• SMILES: Cc1occc1C(=O)Nc1cc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)ccc1F
• InChI: InChI=1S/C26H18FN3O4/c1-15-19(11-12-33-15)26(32)29-23-14-18(8-9-21(23)27)28-25(31)17-7-10-22-20(13-17)24(34-30-22)16-5-3-2-4-6-16/h2-14H,1H3,(H,28,31)(H,29,32)
• InChIKey: LACVAIHWRQXYLZ-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 97.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.45
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?

The IUPAC name of N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 55707486) is N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.

What is the SMILES notation for N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?

The canonical SMILES for N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is Cc1occc1C(=O)Nc1cc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)ccc1F.

What is the InChIKey of N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?

The InChIKey is LACVAIHWRQXYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3O4/c1-15-19(11-12-33-15)26(32)29-23-14-18(8-9-21(23)27)28-25(31)17-7-10-22-20(13-17)24(34-30-22)16-5-3-2-4-6-16/h2-14H,1H3,(H,28,31)(H,29,32).

What are the key properties of N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?

N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 455.45 g/mol, XLogP of 6.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 55707486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).