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

C17H16N4O4 — CID 139413028

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

N-[(3S)-6-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide (PubChem CID 139413028) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[(3S)-6-(5-ethyl-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-[(3S)-6-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide
• PubChem CID: 139413028
• Molecular Formula: C17H16N4O4
• Molecular Weight: 340.34 g/mol
• Exact Mass: 340.12
• IUPAC Name: N-[(3S)-6-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide
• SMILES: CCc1nc(-c2ccc3c(c2)OC[C@H]3NC(=O)c2cnc(C)o2)no1
• InChI: InChI=1S/C17H16N4O4/c1-3-15-20-16(21-25-15)10-4-5-11-12(8-23-13(11)6-10)19-17(22)14-7-18-9(2)24-14/h4-7,12H,3,8H2,1-2H3,(H,19,22)/t12-/m1/s1
• InChIKey: JZQUYZWOODGAGW-GFCCVEGCSA-N
• XLogP: 2.46
• TPSA: 103.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.34
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-6-(5-ethyl-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-[(3S)-6-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide (CID 139413028) is N-[(3S)-6-(5-ethyl-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-[(3S)-6-(5-ethyl-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-[(3S)-6-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide is CCc1nc(-c2ccc3c(c2)OC[C@H]3NC(=O)c2cnc(C)o2)no1.

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

The InChIKey is JZQUYZWOODGAGW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-3-15-20-16(21-25-15)10-4-5-11-12(8-23-13(11)6-10)19-17(22)14-7-18-9(2)24-14/h4-7,12H,3,8H2,1-2H3,(H,19,22)/t12-/m1/s1.

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

N-[(3S)-6-(5-ethyl-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 340.34 g/mol, XLogP of 2.46, 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-ethyl-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 139413028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).