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

C8H12N4O2 — CID 141077351

IUPAC3-[(4-ethyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCCc1cn(CN2CCOC2=O)nn1
InChIInChI=1S/C8H12N4O2/c1-2-7-5-12(10-9-7)6-11-3-4-14-8(11)13/h5H,2-4,6H2,1H3
InChIKeyADRLVQMDCCYALS-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.25
Rot. Bonds3

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

3-[(4-ethyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 141077351) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-[(4-ethyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(4-ethyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID141077351
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name3-[(4-ethyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCCc1cn(CN2CCOC2=O)nn1
InChIInChI=1S/C8H12N4O2/c1-2-7-5-12(10-9-7)6-11-3-4-14-8(11)13/h5H,2-4,6H2,1H3
InChIKeyADRLVQMDCCYALS-UHFFFAOYSA-N
XLogP0.25
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(4-ethyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 141077351) is 3-[(4-ethyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(4-ethyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(4-ethyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one is CCc1cn(CN2CCOC2=O)nn1.
What is the InChIKey of 3-[(4-ethyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is ADRLVQMDCCYALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-2-7-5-12(10-9-7)6-11-3-4-14-8(11)13/h5H,2-4,6H2,1H3.
What are the key properties of 3-[(4-ethyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
3-[(4-ethyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 196.21 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 141077351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).