2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol

C14H18N2O2 — CID 63345170

IUPAC2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
SMILESCC(C)(C)c1noc(CC(O)c2ccccc2)n1
InChIInChI=1S/C14H18N2O2/c1-14(2,3)13-15-12(18-16-13)9-11(17)10-7-5-4-6-8-10/h4-8,11,17H,9H2,1-3H3
InChIKeyWXYNQAFKKNVNJJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.64
Rot. Bonds3

About 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol

2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol (PubChem CID 63345170) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
PubChem CID63345170
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
SMILESCC(C)(C)c1noc(CC(O)c2ccccc2)n1
InChIInChI=1S/C14H18N2O2/c1-14(2,3)13-15-12(18-16-13)9-11(17)10-7-5-4-6-8-10/h4-8,11,17H,9H2,1-3H3
InChIKeyWXYNQAFKKNVNJJ-UHFFFAOYSA-N
XLogP2.64
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349417
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 55202211
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63349793
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63345566
2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 65137037
(1R)-2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1-phenylethanol
CID 95270214
3,3-dimethyl-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349675
2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 116808988
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 80740910
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanol
CID 63345351
1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104952588
2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 79202062

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol?
The IUPAC name of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol (CID 63345170) is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol.
What is the SMILES notation for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol?
The canonical SMILES for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol is CC(C)(C)c1noc(CC(O)c2ccccc2)n1.
What is the InChIKey of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol?
The InChIKey is WXYNQAFKKNVNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2,3)13-15-12(18-16-13)9-11(17)10-7-5-4-6-8-10/h4-8,11,17H,9H2,1-3H3.
What are the key properties of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol?
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol has a molecular weight of 246.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol is sourced from PubChem (CID 63345170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).