1-[(4R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]ethenyl carbamate

C19H19F3N8O5 — CID 162592457

About 1-[(4R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]ethenyl carbamate

1-[(4R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]ethenyl carbamate (PubChem CID 162592457) has the molecular formula C19H19F3N8O5 and a molecular weight of 496.41 g/mol. Its IUPAC name is 1-[(4R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]ethenyl carbamate.

Molecular Properties

• Compound Name: 1-[(4R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]ethenyl carbamate
• PubChem CID: 162592457
• Molecular Formula: C19H19F3N8O5
• Molecular Weight: 496.41 g/mol
• Exact Mass: 496.14
• IUPAC Name: 1-[(4R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]ethenyl carbamate
• SMILES: C=C(OC(N)=O)[C@H]1COC(=O)N1c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1
• InChI: InChI=1S/C19H19F3N8O5/c1-9(35-16(24)31)12-8-34-18(32)30(12)13-6-11(26-17(27-13)29-2-4-33-5-3-29)10-7-25-15(23)28-14(10)19(20,21)22/h6-7,12H,1-5,8H2,(H2,24,31)(H2,23,25,28)/t12-/m1/s1
• InChIKey: RBBSBRPQBODMDH-GFCCVEGCSA-N
• XLogP: 1.31
• TPSA: 171.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.41
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]ethenyl carbamate?

The IUPAC name of 1-[(4R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]ethenyl carbamate (CID 162592457) is 1-[(4R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]ethenyl carbamate.

What is the SMILES notation for 1-[(4R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]ethenyl carbamate?

The canonical SMILES for 1-[(4R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]ethenyl carbamate is C=C(OC(N)=O)[C@H]1COC(=O)N1c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1.

What is the InChIKey of 1-[(4R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]ethenyl carbamate?

The InChIKey is RBBSBRPQBODMDH-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19F3N8O5/c1-9(35-16(24)31)12-8-34-18(32)30(12)13-6-11(26-17(27-13)29-2-4-33-5-3-29)10-7-25-15(23)28-14(10)19(20,21)22/h6-7,12H,1-5,8H2,(H2,24,31)(H2,23,25,28)/t12-/m1/s1.

What are the key properties of 1-[(4R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]ethenyl carbamate?

1-[(4R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]ethenyl carbamate has a molecular weight of 496.41 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]ethenyl carbamate is sourced from PubChem (CID 162592457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).