ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate

C11H15NO4 — CID 154791593

IUPACethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(C2CCOCC2)on1
InChIInChI=1S/C11H15NO4/c1-2-15-11(13)9-7-10(16-12-9)8-3-5-14-6-4-8/h7-8H,2-6H2,1H3
InChIKeyIEOVKCBNUIXAEL-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.75
Rot. Bonds3

About ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate

ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate (PubChem CID 154791593) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate
PubChem CID154791593
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Nameethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(C2CCOCC2)on1
InChIInChI=1S/C11H15NO4/c1-2-15-11(13)9-7-10(16-12-9)8-3-5-14-6-4-8/h7-8H,2-6H2,1H3
InChIKeyIEOVKCBNUIXAEL-UHFFFAOYSA-N
XLogP1.75
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylate
CID 146220661
3-methyl-5-(oxan-4-yl)-1,2-oxazole
CID 116869005
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,2-oxazole-3-carboxylate
CID 168510021
methyl 5-cyclohexyl-1,2-oxazole-3-carboxylate
CID 154791565
bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 175316695
1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane
CID 178176268
ethyl 5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-1,2-oxazole-3-carboxylate
CID 67456293
ethyl 1-(oxan-4-ylmethyl)pyrazole-3-carboxylate
CID 67227127
ethyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5307410
ethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate
CID 153446437
ethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568734
ethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate
CID 112707165

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate (CID 154791593) is ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(C2CCOCC2)on1.
What is the InChIKey of ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate?
The InChIKey is IEOVKCBNUIXAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-2-15-11(13)9-7-10(16-12-9)8-3-5-14-6-4-8/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate?
ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate has a molecular weight of 225.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 154791593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).