2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1-(3-methylphenyl)ethanone

C21H16N2O3 — CID 159955137

About 2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1-(3-methylphenyl)ethanone

2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1-(3-methylphenyl)ethanone (PubChem CID 159955137) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1-(3-methylphenyl)ethanone.

Molecular Properties

• Compound Name: 2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1-(3-methylphenyl)ethanone
• PubChem CID: 159955137
• Molecular Formula: C21H16N2O3
• Molecular Weight: 344.37 g/mol
• Exact Mass: 344.12
• IUPAC Name: 2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1-(3-methylphenyl)ethanone
• SMILES: Cc1cccc(C(=O)Cc2cccc(-c3nnc(-c4ccco4)o3)c2)c1
• InChI: InChI=1S/C21H16N2O3/c1-14-5-2-7-16(11-14)18(24)13-15-6-3-8-17(12-15)20-22-23-21(26-20)19-9-4-10-25-19/h2-12H,13H2,1H3
• InChIKey: GATFABWKXBLCQQ-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 69.13 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.37
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1-(3-methylphenyl)ethanone?

The IUPAC name of 2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1-(3-methylphenyl)ethanone (CID 159955137) is 2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1-(3-methylphenyl)ethanone.

What is the SMILES notation for 2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1-(3-methylphenyl)ethanone?

The canonical SMILES for 2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1-(3-methylphenyl)ethanone is Cc1cccc(C(=O)Cc2cccc(-c3nnc(-c4ccco4)o3)c2)c1.

What is the InChIKey of 2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1-(3-methylphenyl)ethanone?

The InChIKey is GATFABWKXBLCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-14-5-2-7-16(11-14)18(24)13-15-6-3-8-17(12-15)20-22-23-21(26-20)19-9-4-10-25-19/h2-12H,13H2,1H3.

What are the key properties of 2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1-(3-methylphenyl)ethanone?

2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1-(3-methylphenyl)ethanone has a molecular weight of 344.37 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 159955137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).