5-methyl-2-phenyl-4-[[3-[3-(2H-tetrazol-5-yl)propyl]-2-benzofuran-5-yl]oxymethyl]-1,3-oxazole

C23H21N5O3 — CID 70283586

About 5-methyl-2-phenyl-4-[[3-[3-(2H-tetrazol-5-yl)propyl]-2-benzofuran-5-yl]oxymethyl]-1,3-oxazole

5-methyl-2-phenyl-4-[[3-[3-(2H-tetrazol-5-yl)propyl]-2-benzofuran-5-yl]oxymethyl]-1,3-oxazole (PubChem CID 70283586) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4-[[3-[3-(2H-tetrazol-5-yl)propyl]-2-benzofuran-5-yl]oxymethyl]-1,3-oxazole.

Molecular Properties

• Compound Name: 5-methyl-2-phenyl-4-[[3-[3-(2H-tetrazol-5-yl)propyl]-2-benzofuran-5-yl]oxymethyl]-1,3-oxazole
• PubChem CID: 70283586
• Molecular Formula: C23H21N5O3
• Molecular Weight: 415.45 g/mol
• Exact Mass: 415.16
• IUPAC Name: 5-methyl-2-phenyl-4-[[3-[3-(2H-tetrazol-5-yl)propyl]-2-benzofuran-5-yl]oxymethyl]-1,3-oxazole
• SMILES: Cc1oc(-c2ccccc2)nc1COc1ccc2coc(CCCc3nn[nH]n3)c2c1
• InChI: InChI=1S/C23H21N5O3/c1-15-20(24-23(31-15)16-6-3-2-4-7-16)14-29-18-11-10-17-13-30-21(19(17)12-18)8-5-9-22-25-27-28-26-22/h2-4,6-7,10-13H,5,8-9,14H2,1H3,(H,25,26,27,28)
• InChIKey: QQTRIRYQOKZOLZ-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 102.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.45
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4-[[3-[3-(2H-tetrazol-5-yl)propyl]-2-benzofuran-5-yl]oxymethyl]-1,3-oxazole?

The IUPAC name of 5-methyl-2-phenyl-4-[[3-[3-(2H-tetrazol-5-yl)propyl]-2-benzofuran-5-yl]oxymethyl]-1,3-oxazole (CID 70283586) is 5-methyl-2-phenyl-4-[[3-[3-(2H-tetrazol-5-yl)propyl]-2-benzofuran-5-yl]oxymethyl]-1,3-oxazole.

What is the SMILES notation for 5-methyl-2-phenyl-4-[[3-[3-(2H-tetrazol-5-yl)propyl]-2-benzofuran-5-yl]oxymethyl]-1,3-oxazole?

The canonical SMILES for 5-methyl-2-phenyl-4-[[3-[3-(2H-tetrazol-5-yl)propyl]-2-benzofuran-5-yl]oxymethyl]-1,3-oxazole is Cc1oc(-c2ccccc2)nc1COc1ccc2coc(CCCc3nn[nH]n3)c2c1.

What is the InChIKey of 5-methyl-2-phenyl-4-[[3-[3-(2H-tetrazol-5-yl)propyl]-2-benzofuran-5-yl]oxymethyl]-1,3-oxazole?

The InChIKey is QQTRIRYQOKZOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-15-20(24-23(31-15)16-6-3-2-4-7-16)14-29-18-11-10-17-13-30-21(19(17)12-18)8-5-9-22-25-27-28-26-22/h2-4,6-7,10-13H,5,8-9,14H2,1H3,(H,25,26,27,28).

What are the key properties of 5-methyl-2-phenyl-4-[[3-[3-(2H-tetrazol-5-yl)propyl]-2-benzofuran-5-yl]oxymethyl]-1,3-oxazole?

5-methyl-2-phenyl-4-[[3-[3-(2H-tetrazol-5-yl)propyl]-2-benzofuran-5-yl]oxymethyl]-1,3-oxazole has a molecular weight of 415.45 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-2-phenyl-4-[[3-[3-(2H-tetrazol-5-yl)propyl]-2-benzofuran-5-yl]oxymethyl]-1,3-oxazole is sourced from PubChem (CID 70283586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).