5-(furan-2-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide

C21H14N4O4S — CID 86263846

About 5-(furan-2-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 86263846) has the molecular formula C21H14N4O4S and a molecular weight of 418.43 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(furan-2-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 86263846
• Molecular Formula: C21H14N4O4S
• Molecular Weight: 418.43 g/mol
• Exact Mass: 418.07
• IUPAC Name: 5-(furan-2-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
• SMILES: O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1cc(-c2ccco2)on1
• InChI: InChI=1S/C21H14N4O4S/c26-21(15-12-17(28-24-15)16-7-3-9-27-16)22-14-6-2-1-5-13(14)11-19-23-20(25-29-19)18-8-4-10-30-18/h1-10,12H,11H2,(H,22,26)
• InChIKey: NXAXZHGJAYZRCA-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 107.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.43
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(furan-2-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide (CID 86263846) is 5-(furan-2-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(furan-2-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(furan-2-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide is O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1cc(-c2ccco2)on1.

What is the InChIKey of 5-(furan-2-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide?

The InChIKey is NXAXZHGJAYZRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O4S/c26-21(15-12-17(28-24-15)16-7-3-9-27-16)22-14-6-2-1-5-13(14)11-19-23-20(25-29-19)18-8-4-10-30-18/h1-10,12H,11H2,(H,22,26).

What are the key properties of 5-(furan-2-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide?

5-(furan-2-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(furan-2-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 86263846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).