N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide

C16H12F2N4O4 — CID 139412446

About N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide

N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide (PubChem CID 139412446) has the molecular formula C16H12F2N4O4 and a molecular weight of 362.29 g/mol. Its IUPAC name is N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide
• PubChem CID: 139412446
• Molecular Formula: C16H12F2N4O4
• Molecular Weight: 362.29 g/mol
• Exact Mass: 362.08
• IUPAC Name: N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide
• SMILES: Cc1ncc(C(=O)NC2COc3cc(-c4noc(C(F)F)n4)ccc32)o1
• InChI: InChI=1S/C16H12F2N4O4/c1-7-19-5-12(25-7)15(23)20-10-6-24-11-4-8(2-3-9(10)11)14-21-16(13(17)18)26-22-14/h2-5,10,13H,6H2,1H3,(H,20,23)
• InChIKey: JBABIPNMQOHAFT-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 103.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.29
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide (CID 139412446) is N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide is Cc1ncc(C(=O)NC2COc3cc(-c4noc(C(F)F)n4)ccc32)o1.

What is the InChIKey of N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide?

The InChIKey is JBABIPNMQOHAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O4/c1-7-19-5-12(25-7)15(23)20-10-6-24-11-4-8(2-3-9(10)11)14-21-16(13(17)18)26-22-14/h2-5,10,13H,6H2,1H3,(H,20,23).

What are the key properties of N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide?

N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 362.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 139412446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).