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

C13H19NO4 — CID 162376288

IUPACtert-butyl (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine-2-carboxylate
SMILESCc1cc([C@@H]2CCON2C(=O)OC(C)(C)C)co1
InChIInChI=1S/C13H19NO4/c1-9-7-10(8-16-9)11-5-6-17-14(11)12(15)18-13(2,3)4/h7-8,11H,5-6H2,1-4H3/t11-/m0/s1
InChIKeyXNNPQSRLWDORFM-NSHDSACASA-N
MW253.30 g/mol
LogP3.20
Rot. Bonds1

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

tert-butyl (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine-2-carboxylate (PubChem CID 162376288) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is tert-butyl (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine-2-carboxylate
PubChem CID162376288
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nametert-butyl (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine-2-carboxylate
SMILESCc1cc([C@@H]2CCON2C(=O)OC(C)(C)C)co1
InChIInChI=1S/C13H19NO4/c1-9-7-10(8-16-9)11-5-6-17-14(11)12(15)18-13(2,3)4/h7-8,11H,5-6H2,1-4H3/t11-/m0/s1
InChIKeyXNNPQSRLWDORFM-NSHDSACASA-N
XLogP3.20
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine-2-carboxylate?
The IUPAC name of tert-butyl (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine-2-carboxylate (CID 162376288) is tert-butyl (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine-2-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine-2-carboxylate is Cc1cc([C@@H]2CCON2C(=O)OC(C)(C)C)co1.
What is the InChIKey of tert-butyl (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine-2-carboxylate?
The InChIKey is XNNPQSRLWDORFM-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NO4/c1-9-7-10(8-16-9)11-5-6-17-14(11)12(15)18-13(2,3)4/h7-8,11H,5-6H2,1-4H3/t11-/m0/s1.
What are the key properties of tert-butyl (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine-2-carboxylate?
tert-butyl (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine-2-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine-2-carboxylate is sourced from PubChem (CID 162376288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).