tert-butyl 3-methyl-3-(1,3-oxazol-5-yl)pyrrolidine-1-carboxylate

C13H20N2O3 — CID 114715904

IUPACtert-butyl 3-methyl-3-(1,3-oxazol-5-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(c2cnco2)C1
InChIInChI=1S/C13H20N2O3/c1-12(2,3)18-11(16)15-6-5-13(4,8-15)10-7-14-9-17-10/h7,9H,5-6,8H2,1-4H3
InChIKeyZOPDXVKMTXMAPK-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.57
Rot. Bonds1

About tert-butyl 3-methyl-3-(1,3-oxazol-5-yl)pyrrolidine-1-carboxylate

tert-butyl 3-methyl-3-(1,3-oxazol-5-yl)pyrrolidine-1-carboxylate (PubChem CID 114715904) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is tert-butyl 3-methyl-3-(1,3-oxazol-5-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-3-(1,3-oxazol-5-yl)pyrrolidine-1-carboxylate
PubChem CID114715904
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nametert-butyl 3-methyl-3-(1,3-oxazol-5-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(c2cnco2)C1
InChIInChI=1S/C13H20N2O3/c1-12(2,3)18-11(16)15-6-5-13(4,8-15)10-7-14-9-17-10/h7,9H,5-6,8H2,1-4H3
InChIKeyZOPDXVKMTXMAPK-UHFFFAOYSA-N
XLogP2.57
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]benzoic acid
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tert-butyl 3,3-dimethoxypyrrolidine-1-carboxylate;methanol
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CID 145107910

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-3-(1,3-oxazol-5-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-3-(1,3-oxazol-5-yl)pyrrolidine-1-carboxylate (CID 114715904) is tert-butyl 3-methyl-3-(1,3-oxazol-5-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-3-(1,3-oxazol-5-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-3-(1,3-oxazol-5-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C)(c2cnco2)C1.
What is the InChIKey of tert-butyl 3-methyl-3-(1,3-oxazol-5-yl)pyrrolidine-1-carboxylate?
The InChIKey is ZOPDXVKMTXMAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-12(2,3)18-11(16)15-6-5-13(4,8-15)10-7-14-9-17-10/h7,9H,5-6,8H2,1-4H3.
What are the key properties of tert-butyl 3-methyl-3-(1,3-oxazol-5-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-methyl-3-(1,3-oxazol-5-yl)pyrrolidine-1-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-3-(1,3-oxazol-5-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 114715904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).