ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate

C11H12N2O4 — CID 113377062

IUPACethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NCc2ccco2)n1
InChIInChI=1S/C11H12N2O4/c1-2-15-10(14)9-7-17-11(13-9)12-6-8-4-3-5-16-8/h3-5,7H,2,6H2,1H3,(H,12,13)
InChIKeyAKXULRCIYDVZNZ-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.06
Rot. Bonds5

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

ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate (PubChem CID 113377062) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate
PubChem CID113377062
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Nameethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NCc2ccco2)n1
InChIInChI=1S/C11H12N2O4/c1-2-15-10(14)9-7-17-11(13-9)12-6-8-4-3-5-16-8/h3-5,7H,2,6H2,1H3,(H,12,13)
InChIKeyAKXULRCIYDVZNZ-UHFFFAOYSA-N
XLogP2.06
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate
CID 113377130
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-4-carboxylate
CID 53404549
ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate
CID 106189842
ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate
CID 113377237
ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 113377091
ethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate
CID 113377147
ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate
CID 113377340
ethyl 2-[(3-chloro-4-methylsulfonylphenyl)methylamino]-1,3-oxazole-4-carboxylate
CID 146092575
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-hydroxy-4,4-dimethylpentyl)amino]-1,3-oxazole-4-carboxylate
CID 107153189
ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109187796

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate (CID 113377062) is ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(NCc2ccco2)n1.
What is the InChIKey of ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate?
The InChIKey is AKXULRCIYDVZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-2-15-10(14)9-7-17-11(13-9)12-6-8-4-3-5-16-8/h3-5,7H,2,6H2,1H3,(H,12,13).
What are the key properties of ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate?
ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate has a molecular weight of 236.23 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 113377062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).