ethyl 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-oxazole-4-carboxylate

C10H13N5O3 — CID 106282826

IUPACethyl 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NC(C)c2ncn[nH]2)n1
InChIInChI=1S/C10H13N5O3/c1-3-17-9(16)7-4-18-10(14-7)13-6(2)8-11-5-12-15-8/h4-6H,3H2,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyXLUMCFSOTBRPPA-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.14
Rot. Bonds5

About ethyl 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-oxazole-4-carboxylate

ethyl 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-oxazole-4-carboxylate (PubChem CID 106282826) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is ethyl 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-oxazole-4-carboxylate
PubChem CID106282826
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Nameethyl 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NC(C)c2ncn[nH]2)n1
InChIInChI=1S/C10H13N5O3/c1-3-17-9(16)7-4-18-10(14-7)13-6(2)8-11-5-12-15-8/h4-6H,3H2,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyXLUMCFSOTBRPPA-UHFFFAOYSA-N
XLogP1.14
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate
CID 113377130
ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate
CID 104828592
ethyl 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1,3-oxazole-4-carboxylate
CID 104530110
ethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 106283542
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate
CID 114008821
ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate
CID 106189842
ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 113377091
ethyl 2-(3-methylsulfinylbutylamino)-1,3-oxazole-4-carboxylate
CID 113490540
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
ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 103943302
ethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate
CID 113377250

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-oxazole-4-carboxylate (CID 106282826) is ethyl 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(NC(C)c2ncn[nH]2)n1.
What is the InChIKey of ethyl 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-oxazole-4-carboxylate?
The InChIKey is XLUMCFSOTBRPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c1-3-17-9(16)7-4-18-10(14-7)13-6(2)8-11-5-12-15-8/h4-6H,3H2,1-2H3,(H,13,14)(H,11,12,15).
What are the key properties of ethyl 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-oxazole-4-carboxylate?
ethyl 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-oxazole-4-carboxylate has a molecular weight of 251.25 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 106282826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).