2-(4-fluorophenyl)-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide

C31H27FN4O5 — CID 59275767

About 2-(4-fluorophenyl)-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide (PubChem CID 59275767) has the molecular formula C31H27FN4O5 and a molecular weight of 554.58 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
• PubChem CID: 59275767
• Molecular Formula: C31H27FN4O5
• Molecular Weight: 554.58 g/mol
• Exact Mass: 554.20
• IUPAC Name: 2-(4-fluorophenyl)-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NC(C)(C)C(=O)Nc4cc(C)no4)c3)cc12
• InChI: InChI=1S/C31H27FN4O5/c1-17-14-25(41-36-17)34-30(39)31(2,3)35-28(37)21-7-5-6-19(15-21)20-10-13-24-23(16-20)26(29(38)33-4)27(40-24)18-8-11-22(32)12-9-18/h5-16H,1-4H3,(H,33,38)(H,34,39)(H,35,37)
• InChIKey: AHFAHRWKTXZXTJ-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 126.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.58
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide?

The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide (CID 59275767) is 2-(4-fluorophenyl)-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide.

What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide?

The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NC(C)(C)C(=O)Nc4cc(C)no4)c3)cc12.

What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide?

The InChIKey is AHFAHRWKTXZXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FN4O5/c1-17-14-25(41-36-17)34-30(39)31(2,3)35-28(37)21-7-5-6-19(15-21)20-10-13-24-23(16-20)26(29(38)33-4)27(40-24)18-8-11-22(32)12-9-18/h5-16H,1-4H3,(H,33,38)(H,34,39)(H,35,37).

What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide?

2-(4-fluorophenyl)-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 554.58 g/mol, XLogP of 5.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59275767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).