tert-butyl 3-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]azetidine-1-carboxylate

C13H20N2O4 — CID 166114160

IUPACtert-butyl 3-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Cc2cnc(CO)o2)C1
InChIInChI=1S/C13H20N2O4/c1-13(2,3)19-12(17)15-6-9(7-15)4-10-5-14-11(8-16)18-10/h5,9,16H,4,6-8H2,1-3H3
InChIKeyFDZIZSQBRDEPEX-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.58
Rot. Bonds3

About tert-butyl 3-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]azetidine-1-carboxylate

tert-butyl 3-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]azetidine-1-carboxylate (PubChem CID 166114160) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is tert-butyl 3-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]azetidine-1-carboxylate
PubChem CID166114160
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nametert-butyl 3-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Cc2cnc(CO)o2)C1
InChIInChI=1S/C13H20N2O4/c1-13(2,3)19-12(17)15-6-9(7-15)4-10-5-14-11(8-16)18-10/h5,9,16H,4,6-8H2,1-3H3
InChIKeyFDZIZSQBRDEPEX-UHFFFAOYSA-N
XLogP1.58
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]azetidine-1-carboxylate (CID 166114160) is tert-butyl 3-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(Cc2cnc(CO)o2)C1.
What is the InChIKey of tert-butyl 3-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]azetidine-1-carboxylate?
The InChIKey is FDZIZSQBRDEPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-13(2,3)19-12(17)15-6-9(7-15)4-10-5-14-11(8-16)18-10/h5,9,16H,4,6-8H2,1-3H3.
What are the key properties of tert-butyl 3-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]azetidine-1-carboxylate?
tert-butyl 3-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]azetidine-1-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 166114160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).