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

C16H12F2N4O4 — CID 139412563

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

N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 139412563) has the molecular formula C16H12F2N4O4 and a molecular weight of 362.29 g/mol. Its IUPAC name is N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
• PubChem CID: 139412563
• Molecular Formula: C16H12F2N4O4
• Molecular Weight: 362.29 g/mol
• Exact Mass: 362.08
• IUPAC Name: N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
• SMILES: Cc1ncoc1C(=O)N[C@@H]1COc2cc(-c3noc(C(F)F)n3)ccc21
• InChI: InChI=1S/C16H12F2N4O4/c1-7-12(25-6-19-7)15(23)20-10-5-24-11-4-8(2-3-9(10)11)14-21-16(13(17)18)26-22-14/h2-4,6,10,13H,5H2,1H3,(H,20,23)/t10-/m1/s1
• InChIKey: SGAKTIGPDVKKBO-SNVBAGLBSA-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-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-4-methyl-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-4-methyl-1,3-oxazole-5-carboxamide (CID 139412563) is N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-4-methyl-1,3-oxazole-5-carboxamide.

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

The canonical SMILES for N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)N[C@@H]1COc2cc(-c3noc(C(F)F)n3)ccc21.

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

The InChIKey is SGAKTIGPDVKKBO-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H12F2N4O4/c1-7-12(25-6-19-7)15(23)20-10-5-24-11-4-8(2-3-9(10)11)14-21-16(13(17)18)26-22-14/h2-4,6,10,13H,5H2,1H3,(H,20,23)/t10-/m1/s1.

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

N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-4-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-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1-benzofuran-3-yl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 139412563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).