ethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate

C10H16N2O3 — CID 153446437

IUPACethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(N(CC)CC)on1
InChIInChI=1S/C10H16N2O3/c1-4-12(5-2)9-7-8(11-15-9)10(13)14-6-3/h7H,4-6H2,1-3H3
InChIKeyWNBIJXKYVLNHJA-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.70
Rot. Bonds5

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

ethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate (PubChem CID 153446437) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate
PubChem CID153446437
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(N(CC)CC)on1
InChIInChI=1S/C10H16N2O3/c1-4-12(5-2)9-7-8(11-15-9)10(13)14-6-3/h7H,4-6H2,1-3H3
InChIKeyWNBIJXKYVLNHJA-UHFFFAOYSA-N
XLogP1.70
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[(3-amino-1,2,4-triazol-1-yl)methyl]-1,2-oxazole-3-carboxylate
CID 46949174
N,N-diethylethanamine;ethyl 1,2-oxazole-3-carboxylate
CID 160647596
ethyl 5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylate
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ethyl 5-(oxetan-3-yl)-1,2-oxazole-3-carboxylate
CID 146220661
ethyl 5-tridecyl-1,2-oxazole-3-carboxylate
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CID 137333254
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
ethyl 5-(2-acetylpyrazol-3-yl)-1,2-oxazole-3-carboxylate
CID 5063334
ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate
CID 154791615
ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate
CID 154791593
ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;2,2,2-trifluoroacetic acid
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ethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate
CID 90326174

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate (CID 153446437) is ethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(N(CC)CC)on1.
What is the InChIKey of ethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate?
The InChIKey is WNBIJXKYVLNHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-12(5-2)9-7-8(11-15-9)10(13)14-6-3/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate?
ethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 153446437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).