5-[(4-ethoxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one

C8H12N4O3 — CID 141077994

IUPAC5-[(4-ethoxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCCOc1cn(CC2CNC(=O)O2)nn1
InChIInChI=1S/C8H12N4O3/c1-2-14-7-5-12(11-10-7)4-6-3-9-8(13)15-6/h5-6H,2-4H2,1H3,(H,9,13)
InChIKeyCHIPCGZDMIMHCB-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.21
Rot. Bonds4

About 5-[(4-ethoxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one

5-[(4-ethoxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 141077994) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 5-[(4-ethoxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-ethoxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID141077994
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name5-[(4-ethoxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCCOc1cn(CC2CNC(=O)O2)nn1
InChIInChI=1S/C8H12N4O3/c1-2-14-7-5-12(11-10-7)4-6-3-9-8(13)15-6/h5-6H,2-4H2,1H3,(H,9,13)
InChIKeyCHIPCGZDMIMHCB-UHFFFAOYSA-N
XLogP-0.21
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1,2,3]Triazol-1-ylmethyl-oxazolidin-2-one
CID 58778320
(5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 59994668
5-[(4-Hydroxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141078030
5-(Triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride
CID 142658527
[1-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl] acetate
CID 174757930
1-methyl-5-(pyrrolidin-3-yloxy)-1H-1,2,3-triazole
CID 84653062
1-Ethyl-5-pyrrolidin-3-yloxytriazole
CID 130486946
1-methyl-4-(pyrrolidin-3-yloxy)-1H-1,2,3-triazole
CID 165624689

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-ethoxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 141077994) is 5-[(4-ethoxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-ethoxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-ethoxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one is CCOc1cn(CC2CNC(=O)O2)nn1.
What is the InChIKey of 5-[(4-ethoxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is CHIPCGZDMIMHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-2-14-7-5-12(11-10-7)4-6-3-9-8(13)15-6/h5-6H,2-4H2,1H3,(H,9,13).
What are the key properties of 5-[(4-ethoxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
5-[(4-ethoxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 212.21 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 141077994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).