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

C10H16N2O3 — CID 145298096

IUPACethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate
SMILESCC.COC(=O)c1coc(C2CNC2)n1
InChIInChI=1S/C8H10N2O3.C2H6/c1-12-8(11)6-4-13-7(10-6)5-2-9-3-5;1-2/h4-5,9H,2-3H2,1H3;1-2H3
InChIKeyNCNYBXBRVAOSMV-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.17
Rot. Bonds2

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

ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate (PubChem CID 145298096) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate
PubChem CID145298096
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate
SMILESCC.COC(=O)c1coc(C2CNC2)n1
InChIInChI=1S/C8H10N2O3.C2H6/c1-12-8(11)6-4-13-7(10-6)5-2-9-3-5;1-2/h4-5,9H,2-3H2,1H3;1-2H3
InChIKeyNCNYBXBRVAOSMV-UHFFFAOYSA-N
XLogP1.17
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate (CID 145298096) is ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate is CC.COC(=O)c1coc(C2CNC2)n1.
What is the InChIKey of ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is NCNYBXBRVAOSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3.C2H6/c1-12-8(11)6-4-13-7(10-6)5-2-9-3-5;1-2/h4-5,9H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate?
ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 145298096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).