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

C12H19N3O4 — CID 162376447

IUPACtert-butyl 5-hydroxy-3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carboxylate
SMILESCn1ccc(C2CC(O)ON2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H19N3O4/c1-12(2,3)18-11(17)15-9(7-10(16)19-15)8-5-6-14(4)13-8/h5-6,9-10,16H,7H2,1-4H3
InChIKeyVKYDKXGRBDHESW-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.35
Rot. Bonds1

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

tert-butyl 5-hydroxy-3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carboxylate (PubChem CID 162376447) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is tert-butyl 5-hydroxy-3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-hydroxy-3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carboxylate
PubChem CID162376447
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Nametert-butyl 5-hydroxy-3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carboxylate
SMILESCn1ccc(C2CC(O)ON2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H19N3O4/c1-12(2,3)18-11(17)15-9(7-10(16)19-15)8-5-6-14(4)13-8/h5-6,9-10,16H,7H2,1-4H3
InChIKeyVKYDKXGRBDHESW-UHFFFAOYSA-N
XLogP1.35
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-hydroxy-3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carboxylate?
The IUPAC name of tert-butyl 5-hydroxy-3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carboxylate (CID 162376447) is tert-butyl 5-hydroxy-3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carboxylate.
What is the SMILES notation for tert-butyl 5-hydroxy-3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carboxylate?
The canonical SMILES for tert-butyl 5-hydroxy-3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carboxylate is Cn1ccc(C2CC(O)ON2C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl 5-hydroxy-3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carboxylate?
The InChIKey is VKYDKXGRBDHESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-12(2,3)18-11(17)15-9(7-10(16)19-15)8-5-6-14(4)13-8/h5-6,9-10,16H,7H2,1-4H3.
What are the key properties of tert-butyl 5-hydroxy-3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carboxylate?
tert-butyl 5-hydroxy-3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-hydroxy-3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carboxylate is sourced from PubChem (CID 162376447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).