(5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate

C19H20N4O6 — CID 55443173

About (5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate

(5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 55443173) has the molecular formula C19H20N4O6 and a molecular weight of 400.39 g/mol. Its IUPAC name is (5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

• Compound Name: (5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate
• PubChem CID: 55443173
• Molecular Formula: C19H20N4O6
• Molecular Weight: 400.39 g/mol
• Exact Mass: 400.14
• IUPAC Name: (5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate
• SMILES: CCOC(=O)C1=C(COC(=O)c2c(C)noc2N)NC(=O)NC1c1ccccc1
• InChI: InChI=1S/C19H20N4O6/c1-3-27-18(25)14-12(9-28-17(24)13-10(2)23-29-16(13)20)21-19(26)22-15(14)11-7-5-4-6-8-11/h4-8,15H,3,9,20H2,1-2H3,(H2,21,22,26)
• InChIKey: CXYYZBXYOVMXNQ-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 145.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.39
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate?

The IUPAC name of (5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate (CID 55443173) is (5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate.

What is the SMILES notation for (5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate?

The canonical SMILES for (5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate is CCOC(=O)C1=C(COC(=O)c2c(C)noc2N)NC(=O)NC1c1ccccc1.

What is the InChIKey of (5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate?

The InChIKey is CXYYZBXYOVMXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O6/c1-3-27-18(25)14-12(9-28-17(24)13-10(2)23-29-16(13)20)21-19(26)22-15(14)11-7-5-4-6-8-11/h4-8,15H,3,9,20H2,1-2H3,(H2,21,22,26).

What are the key properties of (5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate?

(5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 400.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 55443173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).