1-[(3R,5S)-2-tert-butyl-3-phenyl-1,2-oxazolidin-5-yl]-5-fluoropyrimidine-2,4-dione

C17H20FN3O3 — CID 52946183

IUPAC1-[(3R,5S)-2-tert-butyl-3-phenyl-1,2-oxazolidin-5-yl]-5-fluoropyrimidine-2,4-dione
SMILESCC(C)(C)N1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H20FN3O3/c1-17(2,3)21-13(11-7-5-4-6-8-11)9-14(24-21)20-10-12(18)15(22)19-16(20)23/h4-8,10,13-14H,9H2,1-3H3,(H,19,22,23)/t13-,14+/m1/s1
InChIKeyXSLNWRDEQFFZDW-KGLIPLIRSA-N
MW333.36 g/mol
LogP2.35
Rot. Bonds2

About 1-[(3R,5S)-2-tert-butyl-3-phenyl-1,2-oxazolidin-5-yl]-5-fluoropyrimidine-2,4-dione

1-[(3R,5S)-2-tert-butyl-3-phenyl-1,2-oxazolidin-5-yl]-5-fluoropyrimidine-2,4-dione (PubChem CID 52946183) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-[(3R,5S)-2-tert-butyl-3-phenyl-1,2-oxazolidin-5-yl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3R,5S)-2-tert-butyl-3-phenyl-1,2-oxazolidin-5-yl]-5-fluoropyrimidine-2,4-dione
PubChem CID52946183
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-[(3R,5S)-2-tert-butyl-3-phenyl-1,2-oxazolidin-5-yl]-5-fluoropyrimidine-2,4-dione
SMILESCC(C)(C)N1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H20FN3O3/c1-17(2,3)21-13(11-7-5-4-6-8-11)9-14(24-21)20-10-12(18)15(22)19-16(20)23/h4-8,10,13-14H,9H2,1-3H3,(H,19,22,23)/t13-,14+/m1/s1
InChIKeyXSLNWRDEQFFZDW-KGLIPLIRSA-N
XLogP2.35
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5S)-2-tert-butyl-3-phenyl-1,2-oxazolidin-5-yl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[(3R,5S)-2-tert-butyl-3-phenyl-1,2-oxazolidin-5-yl]-5-fluoropyrimidine-2,4-dione (CID 52946183) is 1-[(3R,5S)-2-tert-butyl-3-phenyl-1,2-oxazolidin-5-yl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3R,5S)-2-tert-butyl-3-phenyl-1,2-oxazolidin-5-yl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[(3R,5S)-2-tert-butyl-3-phenyl-1,2-oxazolidin-5-yl]-5-fluoropyrimidine-2,4-dione is CC(C)(C)N1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(3R,5S)-2-tert-butyl-3-phenyl-1,2-oxazolidin-5-yl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is XSLNWRDEQFFZDW-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-17(2,3)21-13(11-7-5-4-6-8-11)9-14(24-21)20-10-12(18)15(22)19-16(20)23/h4-8,10,13-14H,9H2,1-3H3,(H,19,22,23)/t13-,14+/m1/s1.
What are the key properties of 1-[(3R,5S)-2-tert-butyl-3-phenyl-1,2-oxazolidin-5-yl]-5-fluoropyrimidine-2,4-dione?
1-[(3R,5S)-2-tert-butyl-3-phenyl-1,2-oxazolidin-5-yl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 333.36 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5S)-2-tert-butyl-3-phenyl-1,2-oxazolidin-5-yl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 52946183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).