1-(1,2,4-oxadiazol-3-yl)-1-phenylethanol

C10H10N2O2 — CID 23057499

IUPAC1-(1,2,4-oxadiazol-3-yl)-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1ncon1
InChIInChI=1S/C10H10N2O2/c1-10(13,9-11-7-14-12-9)8-5-3-2-4-6-8/h2-7,13H,1H3
InChIKeyBSALHJHKAATSFM-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.33
Rot. Bonds2

About 1-(1,2,4-oxadiazol-3-yl)-1-phenylethanol

1-(1,2,4-oxadiazol-3-yl)-1-phenylethanol (PubChem CID 23057499) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-3-yl)-1-phenylethanol.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-3-yl)-1-phenylethanol
PubChem CID23057499
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-(1,2,4-oxadiazol-3-yl)-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1ncon1
InChIInChI=1S/C10H10N2O2/c1-10(13,9-11-7-14-12-9)8-5-3-2-4-6-8/h2-7,13H,1H3
InChIKeyBSALHJHKAATSFM-UHFFFAOYSA-N
XLogP1.33
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-3-yl)-1-phenylethanol?
The IUPAC name of 1-(1,2,4-oxadiazol-3-yl)-1-phenylethanol (CID 23057499) is 1-(1,2,4-oxadiazol-3-yl)-1-phenylethanol.
What is the SMILES notation for 1-(1,2,4-oxadiazol-3-yl)-1-phenylethanol?
The canonical SMILES for 1-(1,2,4-oxadiazol-3-yl)-1-phenylethanol is CC(O)(c1ccccc1)c1ncon1.
What is the InChIKey of 1-(1,2,4-oxadiazol-3-yl)-1-phenylethanol?
The InChIKey is BSALHJHKAATSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-10(13,9-11-7-14-12-9)8-5-3-2-4-6-8/h2-7,13H,1H3.
What are the key properties of 1-(1,2,4-oxadiazol-3-yl)-1-phenylethanol?
1-(1,2,4-oxadiazol-3-yl)-1-phenylethanol has a molecular weight of 190.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-3-yl)-1-phenylethanol is sourced from PubChem (CID 23057499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).