ethyl 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1-methyl-1,2,4-triazole-3-carboxylate

C11H14N4O4 — CID 66158183

IUPACethyl 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1-methyl-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nc(-c2cc(COC)on2)n(C)n1
InChIInChI=1S/C11H14N4O4/c1-4-18-11(16)9-12-10(15(2)13-9)8-5-7(6-17-3)19-14-8/h5H,4,6H2,1-3H3
InChIKeyCFZHYUYJXKSGFE-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.79
Rot. Bonds5

About ethyl 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1-methyl-1,2,4-triazole-3-carboxylate

ethyl 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1-methyl-1,2,4-triazole-3-carboxylate (PubChem CID 66158183) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is ethyl 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1-methyl-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1-methyl-1,2,4-triazole-3-carboxylate
PubChem CID66158183
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Nameethyl 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1-methyl-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nc(-c2cc(COC)on2)n(C)n1
InChIInChI=1S/C11H14N4O4/c1-4-18-11(16)9-12-10(15(2)13-9)8-5-7(6-17-3)19-14-8/h5H,4,6H2,1-3H3
InChIKeyCFZHYUYJXKSGFE-UHFFFAOYSA-N
XLogP0.79
TPSA92.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1-methyl-1,2,4-triazole-3-carboxylate?
The IUPAC name of ethyl 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1-methyl-1,2,4-triazole-3-carboxylate (CID 66158183) is ethyl 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1-methyl-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1-methyl-1,2,4-triazole-3-carboxylate?
The canonical SMILES for ethyl 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1-methyl-1,2,4-triazole-3-carboxylate is CCOC(=O)c1nc(-c2cc(COC)on2)n(C)n1.
What is the InChIKey of ethyl 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1-methyl-1,2,4-triazole-3-carboxylate?
The InChIKey is CFZHYUYJXKSGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-4-18-11(16)9-12-10(15(2)13-9)8-5-7(6-17-3)19-14-8/h5H,4,6H2,1-3H3.
What are the key properties of ethyl 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1-methyl-1,2,4-triazole-3-carboxylate?
ethyl 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1-methyl-1,2,4-triazole-3-carboxylate has a molecular weight of 266.26 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1-methyl-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 66158183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).