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

C10H14N4O4 — CID 103105117

IUPACethyl 5-methyl-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate
SMILESCCOC(=O)c1nnn(CC2CNC(=O)O2)c1C
InChIInChI=1S/C10H14N4O4/c1-3-17-9(15)8-6(2)14(13-12-8)5-7-4-11-10(16)18-7/h7H,3-5H2,1-2H3,(H,11,16)
InChIKeyFRCOXGVHIJRTME-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.13
Rot. Bonds4

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

ethyl 5-methyl-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate (PubChem CID 103105117) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is ethyl 5-methyl-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate
PubChem CID103105117
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Nameethyl 5-methyl-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate
SMILESCCOC(=O)c1nnn(CC2CNC(=O)O2)c1C
InChIInChI=1S/C10H14N4O4/c1-3-17-9(15)8-6(2)14(13-12-8)5-7-4-11-10(16)18-7/h7H,3-5H2,1-2H3,(H,11,16)
InChIKeyFRCOXGVHIJRTME-UHFFFAOYSA-N
XLogP-0.13
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-(methoxymethyl)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate
CID 102643772
2-(4-ethoxycarbonyl-5-methyltriazol-1-yl)acetic acid
CID 82222614
ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
CID 103105071
prop-2-enyl 1-(cyclopropylmethyl)-5-methyltriazole-4-carboxylate
CID 103114103
ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate
CID 60673999
ethyl 5-methyl-1-(3-methylbutyl)triazole-4-carboxylate
CID 103104931
ethyl 1-[(1-hydroxycyclopentyl)methyl]-5-methyltriazole-4-carboxylate
CID 103104950
ethyl 5-(aminomethyl)-1-[(5-methyloxolan-2-yl)methyl]triazole-4-carboxylate
CID 103137840
ethyl 1,5-dimethyltriazole-4-carboxylate
CID 14969764
prop-2-enyl 5-methyl-1-[(5-oxopyrrolidin-2-yl)methyl]triazole-4-carboxylate
CID 107530798
ethyl 1-(3-hydroxy-2-methylpropyl)-5-methyltriazole-4-carboxylate
CID 103105050
ethyl 1-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carboxylate
CID 2764580

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate (CID 103105117) is ethyl 5-methyl-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate is CCOC(=O)c1nnn(CC2CNC(=O)O2)c1C.
What is the InChIKey of ethyl 5-methyl-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate?
The InChIKey is FRCOXGVHIJRTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-3-17-9(15)8-6(2)14(13-12-8)5-7-4-11-10(16)18-7/h7H,3-5H2,1-2H3,(H,11,16).
What are the key properties of ethyl 5-methyl-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate?
ethyl 5-methyl-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate has a molecular weight of 254.25 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate is sourced from PubChem (CID 103105117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).