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

C10H14N4O5 — CID 102643772

IUPACmethyl 5-(methoxymethyl)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate
SMILESCOCc1c(C(=O)OC)nnn1CC1CNC(=O)O1
InChIInChI=1S/C10H14N4O5/c1-17-5-7-8(9(15)18-2)12-13-14(7)4-6-3-11-10(16)19-6/h6H,3-5H2,1-2H3,(H,11,16)
InChIKeyCEBQFQGGKNGHCW-UHFFFAOYSA-N
MW270.24 g/mol
LogP-0.68
Rot. Bonds5

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

methyl 5-(methoxymethyl)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate (PubChem CID 102643772) has the molecular formula C10H14N4O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is methyl 5-(methoxymethyl)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(methoxymethyl)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate
PubChem CID102643772
Molecular FormulaC10H14N4O5
Molecular Weight270.24 g/mol
Exact Mass270.10
IUPAC Namemethyl 5-(methoxymethyl)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate
SMILESCOCc1c(C(=O)OC)nnn1CC1CNC(=O)O1
InChIInChI=1S/C10H14N4O5/c1-17-5-7-8(9(15)18-2)12-13-14(7)4-6-3-11-10(16)19-6/h6H,3-5H2,1-2H3,(H,11,16)
InChIKeyCEBQFQGGKNGHCW-UHFFFAOYSA-N
XLogP-0.68
TPSA104.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(methoxymethyl)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate?
The IUPAC name of methyl 5-(methoxymethyl)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate (CID 102643772) is methyl 5-(methoxymethyl)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate.
What is the SMILES notation for methyl 5-(methoxymethyl)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate?
The canonical SMILES for methyl 5-(methoxymethyl)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate is COCc1c(C(=O)OC)nnn1CC1CNC(=O)O1.
What is the InChIKey of methyl 5-(methoxymethyl)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate?
The InChIKey is CEBQFQGGKNGHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5/c1-17-5-7-8(9(15)18-2)12-13-14(7)4-6-3-11-10(16)19-6/h6H,3-5H2,1-2H3,(H,11,16).
What are the key properties of methyl 5-(methoxymethyl)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate?
methyl 5-(methoxymethyl)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate has a molecular weight of 270.24 g/mol, XLogP of -0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methoxymethyl)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate is sourced from PubChem (CID 102643772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).