1-[1-[(4S)-1,2-oxazolidin-4-yl]triazol-4-yl]ethanol

C7H12N4O2 — CID 165444812

IUPAC1-[1-[(4S)-1,2-oxazolidin-4-yl]triazol-4-yl]ethanol
SMILESCC(O)c1cn([C@H]2CNOC2)nn1
InChIInChI=1S/C7H12N4O2/c1-5(12)7-3-11(10-9-7)6-2-8-13-4-6/h3,5-6,8,12H,2,4H2,1H3/t5?,6-/m0/s1
InChIKeyQIFHEWRFTXTZCO-GDVGLLTNSA-N
MW184.20 g/mol
LogP-0.59
Rot. Bonds2

About 1-[1-[(4S)-1,2-oxazolidin-4-yl]triazol-4-yl]ethanol

1-[1-[(4S)-1,2-oxazolidin-4-yl]triazol-4-yl]ethanol (PubChem CID 165444812) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-[1-[(4S)-1,2-oxazolidin-4-yl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(4S)-1,2-oxazolidin-4-yl]triazol-4-yl]ethanol
PubChem CID165444812
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name1-[1-[(4S)-1,2-oxazolidin-4-yl]triazol-4-yl]ethanol
SMILESCC(O)c1cn([C@H]2CNOC2)nn1
InChIInChI=1S/C7H12N4O2/c1-5(12)7-3-11(10-9-7)6-2-8-13-4-6/h3,5-6,8,12H,2,4H2,1H3/t5?,6-/m0/s1
InChIKeyQIFHEWRFTXTZCO-GDVGLLTNSA-N
XLogP-0.59
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4S)-1,2-oxazolidin-4-yl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[(4S)-1,2-oxazolidin-4-yl]triazol-4-yl]ethanol (CID 165444812) is 1-[1-[(4S)-1,2-oxazolidin-4-yl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(4S)-1,2-oxazolidin-4-yl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[(4S)-1,2-oxazolidin-4-yl]triazol-4-yl]ethanol is CC(O)c1cn([C@H]2CNOC2)nn1.
What is the InChIKey of 1-[1-[(4S)-1,2-oxazolidin-4-yl]triazol-4-yl]ethanol?
The InChIKey is QIFHEWRFTXTZCO-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-5(12)7-3-11(10-9-7)6-2-8-13-4-6/h3,5-6,8,12H,2,4H2,1H3/t5?,6-/m0/s1.
What are the key properties of 1-[1-[(4S)-1,2-oxazolidin-4-yl]triazol-4-yl]ethanol?
1-[1-[(4S)-1,2-oxazolidin-4-yl]triazol-4-yl]ethanol has a molecular weight of 184.20 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4S)-1,2-oxazolidin-4-yl]triazol-4-yl]ethanol is sourced from PubChem (CID 165444812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).