5-(furan-2-yl)-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole

C19H16N6O2 — CID 24917424

About 5-(furan-2-yl)-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole

5-(furan-2-yl)-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole (PubChem CID 24917424) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole.

Molecular Properties

• Compound Name: 5-(furan-2-yl)-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
• PubChem CID: 24917424
• Molecular Formula: C19H16N6O2
• Molecular Weight: 360.38 g/mol
• Exact Mass: 360.13
• IUPAC Name: 5-(furan-2-yl)-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
• SMILES: c1coc(-c2cc(CN3CCc4nc(-c5cncnc5)ncc4C3)no2)c1
• InChI: InChI=1S/C19H16N6O2/c1-2-17(26-5-1)18-6-15(24-27-18)11-25-4-3-16-14(10-25)9-22-19(23-16)13-7-20-12-21-8-13/h1-2,5-9,12H,3-4,10-11H2
• InChIKey: HCJADVDRCFXGCA-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 93.97 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.38
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole?

The IUPAC name of 5-(furan-2-yl)-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole (CID 24917424) is 5-(furan-2-yl)-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole.

What is the SMILES notation for 5-(furan-2-yl)-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole?

The canonical SMILES for 5-(furan-2-yl)-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole is c1coc(-c2cc(CN3CCc4nc(-c5cncnc5)ncc4C3)no2)c1.

What is the InChIKey of 5-(furan-2-yl)-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole?

The InChIKey is HCJADVDRCFXGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-2-17(26-5-1)18-6-15(24-27-18)11-25-4-3-16-14(10-25)9-22-19(23-16)13-7-20-12-21-8-13/h1-2,5-9,12H,3-4,10-11H2.

What are the key properties of 5-(furan-2-yl)-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole?

5-(furan-2-yl)-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole has a molecular weight of 360.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(furan-2-yl)-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 24917424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).