methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate

C8H10N2O3 — CID 105439902

IUPACmethyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(C2CNC2)n1
InChIInChI=1S/C8H10N2O3/c1-12-8(11)6-4-13-7(10-6)5-2-9-3-5/h4-5,9H,2-3H2,1H3
InChIKeyMJTROQCVJFVAPV-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.15
Rot. Bonds2

About methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate

methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate (PubChem CID 105439902) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate
PubChem CID105439902
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namemethyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(C2CNC2)n1
InChIInChI=1S/C8H10N2O3/c1-12-8(11)6-4-13-7(10-6)5-2-9-3-5/h4-5,9H,2-3H2,1H3
InChIKeyMJTROQCVJFVAPV-UHFFFAOYSA-N
XLogP0.15
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate (CID 105439902) is methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate is COC(=O)c1coc(C2CNC2)n1.
What is the InChIKey of methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is MJTROQCVJFVAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-12-8(11)6-4-13-7(10-6)5-2-9-3-5/h4-5,9H,2-3H2,1H3.
What are the key properties of methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate?
methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 182.18 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 105439902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).