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

C9H11NO4 — CID 146220661

IUPACethyl 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(C2COC2)on1
InChIInChI=1S/C9H11NO4/c1-2-13-9(11)7-3-8(14-10-7)6-4-12-5-6/h3,6H,2,4-5H2,1H3
InChIKeyUEWZXZXKWGLNRM-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.97
Rot. Bonds3

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

ethyl 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylate (PubChem CID 146220661) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is ethyl 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylate
PubChem CID146220661
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Nameethyl 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(C2COC2)on1
InChIInChI=1S/C9H11NO4/c1-2-13-9(11)7-3-8(14-10-7)6-4-12-5-6/h3,6H,2,4-5H2,1H3
InChIKeyUEWZXZXKWGLNRM-UHFFFAOYSA-N
XLogP0.97
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylate (CID 146220661) is ethyl 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(C2COC2)on1.
What is the InChIKey of ethyl 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylate?
The InChIKey is UEWZXZXKWGLNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-2-13-9(11)7-3-8(14-10-7)6-4-12-5-6/h3,6H,2,4-5H2,1H3.
What are the key properties of ethyl 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylate?
ethyl 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylate has a molecular weight of 197.19 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 146220661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).