tert-butyl (3S)-5-hydroxy-3-pyrimidin-5-yl-1,2-oxazolidine-2-carboxylate

C12H17N3O4 — CID 162376487

IUPACtert-butyl (3S)-5-hydroxy-3-pyrimidin-5-yl-1,2-oxazolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1OC(O)C[C@H]1c1cncnc1
InChIInChI=1S/C12H17N3O4/c1-12(2,3)18-11(17)15-9(4-10(16)19-15)8-5-13-7-14-6-8/h5-7,9-10,16H,4H2,1-3H3/t9-,10?/m0/s1
InChIKeyNNBPDCNSXOJXQJ-RGURZIINSA-N
MW267.28 g/mol
LogP1.41
Rot. Bonds1

About tert-butyl (3S)-5-hydroxy-3-pyrimidin-5-yl-1,2-oxazolidine-2-carboxylate

tert-butyl (3S)-5-hydroxy-3-pyrimidin-5-yl-1,2-oxazolidine-2-carboxylate (PubChem CID 162376487) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is tert-butyl (3S)-5-hydroxy-3-pyrimidin-5-yl-1,2-oxazolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-5-hydroxy-3-pyrimidin-5-yl-1,2-oxazolidine-2-carboxylate
PubChem CID162376487
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Nametert-butyl (3S)-5-hydroxy-3-pyrimidin-5-yl-1,2-oxazolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1OC(O)C[C@H]1c1cncnc1
InChIInChI=1S/C12H17N3O4/c1-12(2,3)18-11(17)15-9(4-10(16)19-15)8-5-13-7-14-6-8/h5-7,9-10,16H,4H2,1-3H3/t9-,10?/m0/s1
InChIKeyNNBPDCNSXOJXQJ-RGURZIINSA-N
XLogP1.41
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-(5-fluoro-3-pyridinyl)-5-hydroxy-1,2-oxazolidine-2-carboxylate
CID 162376515
tert-butyl 5-hydroxy-3-(1-methylpyrazol-4-yl)-1,2-oxazolidine-2-carboxylate
CID 162376374
tert-butyl 4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidine-1-carboxylate
CID 162376580
(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid
CID 118980688
tert-butyl 6-(pyrimidin-5-ylmethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238373
tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 67198211
tert-butyl 3-hydroxy-3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67463235
tert-butyl 3-(5-fluoro-4-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylate
CID 175447838
tert-butyl 2-oxa-3-azabicyclo[2.2.1]heptane-3-carboxylate
CID 135742592
tert-butyl 3-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 164751953
tert-butyl 6-pyrimidin-5-yl-2,3,4,5-tetrahydroazepine-1-carboxylate
CID 154779324
tert-butyl (3S)-3-(2-pyrimidin-5-ylethenyl)pyrrolidine-1-carboxylate
CID 67382808

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-5-hydroxy-3-pyrimidin-5-yl-1,2-oxazolidine-2-carboxylate?
The IUPAC name of tert-butyl (3S)-5-hydroxy-3-pyrimidin-5-yl-1,2-oxazolidine-2-carboxylate (CID 162376487) is tert-butyl (3S)-5-hydroxy-3-pyrimidin-5-yl-1,2-oxazolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (3S)-5-hydroxy-3-pyrimidin-5-yl-1,2-oxazolidine-2-carboxylate?
The canonical SMILES for tert-butyl (3S)-5-hydroxy-3-pyrimidin-5-yl-1,2-oxazolidine-2-carboxylate is CC(C)(C)OC(=O)N1OC(O)C[C@H]1c1cncnc1.
What is the InChIKey of tert-butyl (3S)-5-hydroxy-3-pyrimidin-5-yl-1,2-oxazolidine-2-carboxylate?
The InChIKey is NNBPDCNSXOJXQJ-RGURZIINSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-12(2,3)18-11(17)15-9(4-10(16)19-15)8-5-13-7-14-6-8/h5-7,9-10,16H,4H2,1-3H3/t9-,10?/m0/s1.
What are the key properties of tert-butyl (3S)-5-hydroxy-3-pyrimidin-5-yl-1,2-oxazolidine-2-carboxylate?
tert-butyl (3S)-5-hydroxy-3-pyrimidin-5-yl-1,2-oxazolidine-2-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-5-hydroxy-3-pyrimidin-5-yl-1,2-oxazolidine-2-carboxylate is sourced from PubChem (CID 162376487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).