2-[5-(1-benzofuran-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-3-yl)-4-(1H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)phenyl]-1,3-oxazole

C27H16N10O2S — CID 141052547

About 2-[5-(1-benzofuran-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-3-yl)-4-(1H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)phenyl]-1,3-oxazole

2-[5-(1-benzofuran-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-3-yl)-4-(1H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)phenyl]-1,3-oxazole (PubChem CID 141052547) has the molecular formula C27H16N10O2S and a molecular weight of 544.56 g/mol. Its IUPAC name is 2-[5-(1-benzofuran-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-3-yl)-4-(1H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)phenyl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[5-(1-benzofuran-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-3-yl)-4-(1H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)phenyl]-1,3-oxazole
• PubChem CID: 141052547
• Molecular Formula: C27H16N10O2S
• Molecular Weight: 544.56 g/mol
• Exact Mass: 544.12
• IUPAC Name: 2-[5-(1-benzofuran-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-3-yl)-4-(1H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)phenyl]-1,3-oxazole
• SMILES: c1ccc2oc(-c3c(-c4nnn[nH]4)c(-c4ncc[nH]4)c(-c4cc[nH]n4)c(-c4ncco4)c3-c3nccs3)cc2c1
• InChI: InChI=1S/C27H16N10O2S/c1-2-4-16-14(3-1)13-17(39-16)19-21(25-34-36-37-35-25)20(24-28-7-8-29-24)18(15-5-6-32-33-15)22(26-30-9-11-38-26)23(19)27-31-10-12-40-27/h1-13H,(H,28,29)(H,32,33)(H,34,35,36,37)
• InChIKey: DFQKHQMEURZUFW-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 163.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.56
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzofuran-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-3-yl)-4-(1H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)phenyl]-1,3-oxazole?

The IUPAC name of 2-[5-(1-benzofuran-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-3-yl)-4-(1H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)phenyl]-1,3-oxazole (CID 141052547) is 2-[5-(1-benzofuran-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-3-yl)-4-(1H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)phenyl]-1,3-oxazole.

What is the SMILES notation for 2-[5-(1-benzofuran-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-3-yl)-4-(1H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)phenyl]-1,3-oxazole?

The canonical SMILES for 2-[5-(1-benzofuran-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-3-yl)-4-(1H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)phenyl]-1,3-oxazole is c1ccc2oc(-c3c(-c4nnn[nH]4)c(-c4ncc[nH]4)c(-c4cc[nH]n4)c(-c4ncco4)c3-c3nccs3)cc2c1.

What is the InChIKey of 2-[5-(1-benzofuran-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-3-yl)-4-(1H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)phenyl]-1,3-oxazole?

The InChIKey is DFQKHQMEURZUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16N10O2S/c1-2-4-16-14(3-1)13-17(39-16)19-21(25-34-36-37-35-25)20(24-28-7-8-29-24)18(15-5-6-32-33-15)22(26-30-9-11-38-26)23(19)27-31-10-12-40-27/h1-13H,(H,28,29)(H,32,33)(H,34,35,36,37).

What are the key properties of 2-[5-(1-benzofuran-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-3-yl)-4-(1H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)phenyl]-1,3-oxazole?

2-[5-(1-benzofuran-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-3-yl)-4-(1H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)phenyl]-1,3-oxazole has a molecular weight of 544.56 g/mol, XLogP of 5.84, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(1-benzofuran-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-3-yl)-4-(1H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)phenyl]-1,3-oxazole is sourced from PubChem (CID 141052547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).