[5-[2,4-dioxo-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphite

C19H20N3O9P — CID 142312231

About [5-[2,4-dioxo-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphite

[5-[2,4-dioxo-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphite (PubChem CID 142312231) has the molecular formula C19H20N3O9P and a molecular weight of 465.36 g/mol. Its IUPAC name is [5-[2,4-dioxo-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphite.

Molecular Properties

• Compound Name: [5-[2,4-dioxo-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphite
• PubChem CID: 142312231
• Molecular Formula: C19H20N3O9P
• Molecular Weight: 465.36 g/mol
• Exact Mass: 465.09
• IUPAC Name: [5-[2,4-dioxo-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphite
• SMILES: O=c1ccn(C2OC(COP(O)O)C(O)C2O)c(=O)n1Cc1ncc(-c2ccccc2)o1
• InChI: InChI=1S/C19H20N3O9P/c23-15-6-7-21(18-17(25)16(24)13(31-18)10-29-32(27)28)19(26)22(15)9-14-20-8-12(30-14)11-4-2-1-3-5-11/h1-8,13,16-18,24-25,27-28H,9-10H2
• InChIKey: FJISXERDAAJDRW-UHFFFAOYSA-N
• XLogP: -0.44
• TPSA: 169.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.36
LogP ≤ 5	-0.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[2,4-dioxo-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphite?

The IUPAC name of [5-[2,4-dioxo-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphite (CID 142312231) is [5-[2,4-dioxo-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphite.

What is the SMILES notation for [5-[2,4-dioxo-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphite?

The canonical SMILES for [5-[2,4-dioxo-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphite is O=c1ccn(C2OC(COP(O)O)C(O)C2O)c(=O)n1Cc1ncc(-c2ccccc2)o1.

What is the InChIKey of [5-[2,4-dioxo-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphite?

The InChIKey is FJISXERDAAJDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N3O9P/c23-15-6-7-21(18-17(25)16(24)13(31-18)10-29-32(27)28)19(26)22(15)9-14-20-8-12(30-14)11-4-2-1-3-5-11/h1-8,13,16-18,24-25,27-28H,9-10H2.

What are the key properties of [5-[2,4-dioxo-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphite?

[5-[2,4-dioxo-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphite has a molecular weight of 465.36 g/mol, XLogP of -0.44, 7 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[2,4-dioxo-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphite is sourced from PubChem (CID 142312231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).