N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

C24H21N3O3S — CID 38937145

About N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (PubChem CID 38937145) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

• Compound Name: N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
• PubChem CID: 38937145
• Molecular Formula: C24H21N3O3S
• Molecular Weight: 431.52 g/mol
• Exact Mass: 431.13
• IUPAC Name: N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
• SMILES: O=C(CCCc1ncc(-c2ccccc2)o1)Nc1nc(-c2ccc3c(c2)CCO3)cs1
• InChI: InChI=1S/C24H21N3O3S/c28-22(7-4-8-23-25-14-21(30-23)16-5-2-1-3-6-16)27-24-26-19(15-31-24)17-9-10-20-18(13-17)11-12-29-20/h1-3,5-6,9-10,13-15H,4,7-8,11-12H2,(H,26,27,28)
• InChIKey: VTIRRLGRIPZEHT-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.52
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?

The IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (CID 38937145) is N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

What is the SMILES notation for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?

The canonical SMILES for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is O=C(CCCc1ncc(-c2ccccc2)o1)Nc1nc(-c2ccc3c(c2)CCO3)cs1.

What is the InChIKey of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?

The InChIKey is VTIRRLGRIPZEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c28-22(7-4-8-23-25-14-21(30-23)16-5-2-1-3-6-16)27-24-26-19(15-31-24)17-9-10-20-18(13-17)11-12-29-20/h1-3,5-6,9-10,13-15H,4,7-8,11-12H2,(H,26,27,28).

What are the key properties of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?

N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 431.52 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 38937145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).