ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate

C12H20N2O4 — CID 113377237

IUPACethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate
SMILESCCCCOCCNc1nc(C(=O)OCC)co1
InChIInChI=1S/C12H20N2O4/c1-3-5-7-16-8-6-13-12-14-10(9-18-12)11(15)17-4-2/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyXJNYJYBPNLFRCY-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.08
Rot. Bonds9

About ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate

ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate (PubChem CID 113377237) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate
PubChem CID113377237
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nameethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate
SMILESCCCCOCCNc1nc(C(=O)OCC)co1
InChIInChI=1S/C12H20N2O4/c1-3-5-7-16-8-6-13-12-14-10(9-18-12)11(15)17-4-2/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyXJNYJYBPNLFRCY-UHFFFAOYSA-N
XLogP2.08
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[3-(cyclopropylamino)propylamino]-1,3-oxazole-4-carboxylate
CID 113377151
ethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate
CID 113377147
ethyl 2-(3-methylsulfinylbutylamino)-1,3-oxazole-4-carboxylate
CID 113490540
ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate
CID 106189842
ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate
CID 113377062
ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate
CID 113377340
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate
CID 114008821
ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate
CID 104828592
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-4-carboxylate
CID 53404549
ethyl 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-1,3-oxazole-4-carboxylate
CID 107153189
1-[2-[(4-ethoxycarbonyl-1,3-oxazol-2-yl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498278
ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 113377091

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate (CID 113377237) is ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate is CCCCOCCNc1nc(C(=O)OCC)co1.
What is the InChIKey of ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate?
The InChIKey is XJNYJYBPNLFRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-5-7-16-8-6-13-12-14-10(9-18-12)11(15)17-4-2/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate?
ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 113377237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).