(4S,5R)-3-tert-butyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one

C12H17N3O2 — CID 59135197

IUPAC(4S,5R)-3-tert-butyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2cncnc2)OC(=O)N1C(C)(C)C
InChIInChI=1S/C12H17N3O2/c1-8-10(9-5-13-7-14-6-9)17-11(16)15(8)12(2,3)4/h5-8,10H,1-4H3/t8-,10-/m0/s1
InChIKeyZIZQRBMDBOTLIL-WPRPVWTQSA-N
MW235.29 g/mol
LogP2.16
Rot. Bonds1

About (4S,5R)-3-tert-butyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one

(4S,5R)-3-tert-butyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one (PubChem CID 59135197) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (4S,5R)-3-tert-butyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-tert-butyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one
PubChem CID59135197
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(4S,5R)-3-tert-butyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2cncnc2)OC(=O)N1C(C)(C)C
InChIInChI=1S/C12H17N3O2/c1-8-10(9-5-13-7-14-6-9)17-11(16)15(8)12(2,3)4/h5-8,10H,1-4H3/t8-,10-/m0/s1
InChIKeyZIZQRBMDBOTLIL-WPRPVWTQSA-N
XLogP2.16
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-tert-butyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-tert-butyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one (CID 59135197) is (4S,5R)-3-tert-butyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-tert-butyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-tert-butyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one is C[C@H]1[C@@H](c2cncnc2)OC(=O)N1C(C)(C)C.
What is the InChIKey of (4S,5R)-3-tert-butyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one?
The InChIKey is ZIZQRBMDBOTLIL-WPRPVWTQSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-10(9-5-13-7-14-6-9)17-11(16)15(8)12(2,3)4/h5-8,10H,1-4H3/t8-,10-/m0/s1.
What are the key properties of (4S,5R)-3-tert-butyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one?
(4S,5R)-3-tert-butyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one has a molecular weight of 235.29 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-tert-butyl-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59135197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).