6-(furan-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-3a-pyridin-2-yl-3-pyrimidin-2-yl-7-thiophen-2-yl-1-(triazin-4-yl)-4H-2,1,3-benzoxadiazole

C32H20N10O4S — CID 141254192

About 6-(furan-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-3a-pyridin-2-yl-3-pyrimidin-2-yl-7-thiophen-2-yl-1-(triazin-4-yl)-4H-2,1,3-benzoxadiazole

6-(furan-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-3a-pyridin-2-yl-3-pyrimidin-2-yl-7-thiophen-2-yl-1-(triazin-4-yl)-4H-2,1,3-benzoxadiazole (PubChem CID 141254192) has the molecular formula C32H20N10O4S and a molecular weight of 640.65 g/mol. Its IUPAC name is 6-(furan-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-3a-pyridin-2-yl-3-pyrimidin-2-yl-7-thiophen-2-yl-1-(triazin-4-yl)-4H-2,1,3-benzoxadiazole.

Molecular Properties

• Compound Name: 6-(furan-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-3a-pyridin-2-yl-3-pyrimidin-2-yl-7-thiophen-2-yl-1-(triazin-4-yl)-4H-2,1,3-benzoxadiazole
• PubChem CID: 141254192
• Molecular Formula: C32H20N10O4S
• Molecular Weight: 640.65 g/mol
• Exact Mass: 640.14
• IUPAC Name: 6-(furan-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-3a-pyridin-2-yl-3-pyrimidin-2-yl-7-thiophen-2-yl-1-(triazin-4-yl)-4H-2,1,3-benzoxadiazole
• SMILES: c1ccc(C23C(=C(c4cccs4)C(c4ccco4)=C(c4ncco4)C2c2ccon2)N(c2ccnnn2)ON3c2ncccn2)nc1
• InChI: InChI=1S/C32H20N10O4S/c1-2-11-33-23(8-1)32-28(20-10-17-45-39-20)27(30-34-15-18-44-30)25(21-6-3-16-43-21)26(22-7-4-19-47-22)29(32)41(24-9-14-37-40-38-24)46-42(32)31-35-12-5-13-36-31/h1-19,28H
• InChIKey: YYVGSCOJGDJUHQ-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 158.25 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	640.65
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-3a-pyridin-2-yl-3-pyrimidin-2-yl-7-thiophen-2-yl-1-(triazin-4-yl)-4H-2,1,3-benzoxadiazole?

The IUPAC name of 6-(furan-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-3a-pyridin-2-yl-3-pyrimidin-2-yl-7-thiophen-2-yl-1-(triazin-4-yl)-4H-2,1,3-benzoxadiazole (CID 141254192) is 6-(furan-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-3a-pyridin-2-yl-3-pyrimidin-2-yl-7-thiophen-2-yl-1-(triazin-4-yl)-4H-2,1,3-benzoxadiazole.

What is the SMILES notation for 6-(furan-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-3a-pyridin-2-yl-3-pyrimidin-2-yl-7-thiophen-2-yl-1-(triazin-4-yl)-4H-2,1,3-benzoxadiazole?

The canonical SMILES for 6-(furan-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-3a-pyridin-2-yl-3-pyrimidin-2-yl-7-thiophen-2-yl-1-(triazin-4-yl)-4H-2,1,3-benzoxadiazole is c1ccc(C23C(=C(c4cccs4)C(c4ccco4)=C(c4ncco4)C2c2ccon2)N(c2ccnnn2)ON3c2ncccn2)nc1.

What is the InChIKey of 6-(furan-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-3a-pyridin-2-yl-3-pyrimidin-2-yl-7-thiophen-2-yl-1-(triazin-4-yl)-4H-2,1,3-benzoxadiazole?

The InChIKey is YYVGSCOJGDJUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N10O4S/c1-2-11-33-23(8-1)32-28(20-10-17-45-39-20)27(30-34-15-18-44-30)25(21-6-3-16-43-21)26(22-7-4-19-47-22)29(32)41(24-9-14-37-40-38-24)46-42(32)31-35-12-5-13-36-31/h1-19,28H.

What are the key properties of 6-(furan-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-3a-pyridin-2-yl-3-pyrimidin-2-yl-7-thiophen-2-yl-1-(triazin-4-yl)-4H-2,1,3-benzoxadiazole?

6-(furan-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-3a-pyridin-2-yl-3-pyrimidin-2-yl-7-thiophen-2-yl-1-(triazin-4-yl)-4H-2,1,3-benzoxadiazole has a molecular weight of 640.65 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(furan-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-3a-pyridin-2-yl-3-pyrimidin-2-yl-7-thiophen-2-yl-1-(triazin-4-yl)-4H-2,1,3-benzoxadiazole is sourced from PubChem (CID 141254192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).