5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide

C20H14N6O5 — CID 135879855

About 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide (PubChem CID 135879855) has the molecular formula C20H14N6O5 and a molecular weight of 418.37 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 135879855
• Molecular Formula: C20H14N6O5
• Molecular Weight: 418.37 g/mol
• Exact Mass: 418.10
• IUPAC Name: 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(-c3ccco3)on2)n1
• InChI: InChI=1S/C20H14N6O5/c1-11-8-18(27)23-20(21-11)26-17(10-12(24-26)14-4-2-6-29-14)22-19(28)13-9-16(31-25-13)15-5-3-7-30-15/h2-10H,1H3,(H,22,28)(H,21,23,27)
• InChIKey: SVMXABLGHSLXAK-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 144.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.37
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide (CID 135879855) is 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide is Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(-c3ccco3)on2)n1.

What is the InChIKey of 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is SVMXABLGHSLXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O5/c1-11-8-18(27)23-20(21-11)26-17(10-12(24-26)14-4-2-6-29-14)22-19(28)13-9-16(31-25-13)15-5-3-7-30-15/h2-10H,1H3,(H,22,28)(H,21,23,27).

What are the key properties of 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide?

5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 418.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135879855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).