1-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]ethanol

C8H10N4O2 — CID 81443828

IUPAC1-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2ccno2)nn1
InChIInChI=1S/C8H10N4O2/c1-6(13)8-5-12(11-10-8)4-7-2-3-9-14-7/h2-3,5-6,13H,4H2,1H3
InChIKeyYWAOXJXARPVVAM-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.37
Rot. Bonds3

About 1-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]ethanol

1-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]ethanol (PubChem CID 81443828) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]ethanol
PubChem CID81443828
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name1-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2ccno2)nn1
InChIInChI=1S/C8H10N4O2/c1-6(13)8-5-12(11-10-8)4-7-2-3-9-14-7/h2-3,5-6,13H,4H2,1H3
InChIKeyYWAOXJXARPVVAM-UHFFFAOYSA-N
XLogP0.37
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]ethanol?
The IUPAC name of 1-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]ethanol (CID 81443828) is 1-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]ethanol is CC(O)c1cn(Cc2ccno2)nn1.
What is the InChIKey of 1-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]ethanol?
The InChIKey is YWAOXJXARPVVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-6(13)8-5-12(11-10-8)4-7-2-3-9-14-7/h2-3,5-6,13H,4H2,1H3.
What are the key properties of 1-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]ethanol?
1-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]ethanol has a molecular weight of 194.19 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 81443828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).