2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol

C12H14N2O3 — CID 55202211

IUPAC2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
SMILESCOCc1noc(CC(O)c2ccccc2)n1
InChIInChI=1S/C12H14N2O3/c1-16-8-11-13-12(17-14-11)7-10(15)9-5-3-2-4-6-9/h2-6,10,15H,7-8H2,1H3
InChIKeyWGHJUKZLRNQARM-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.49
Rot. Bonds5

About 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol

2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol (PubChem CID 55202211) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
PubChem CID55202211
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
SMILESCOCc1noc(CC(O)c2ccccc2)n1
InChIInChI=1S/C12H14N2O3/c1-16-8-11-13-12(17-14-11)7-10(15)9-5-3-2-4-6-9/h2-6,10,15H,7-8H2,1H3
InChIKeyWGHJUKZLRNQARM-UHFFFAOYSA-N
XLogP1.49
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104952588
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63349793
1-phenyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349417
2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 65137037
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 63349559
3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 54978293
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63345481
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
CID 63345170
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63345566
4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 104503164
3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol
CID 110019524
2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 116808988

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol?
The IUPAC name of 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol (CID 55202211) is 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol.
What is the SMILES notation for 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol?
The canonical SMILES for 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol is COCc1noc(CC(O)c2ccccc2)n1.
What is the InChIKey of 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol?
The InChIKey is WGHJUKZLRNQARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-16-8-11-13-12(17-14-11)7-10(15)9-5-3-2-4-6-9/h2-6,10,15H,7-8H2,1H3.
What are the key properties of 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol?
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol has a molecular weight of 234.25 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol is sourced from PubChem (CID 55202211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).