2-[3-(3-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethanol

C14H18N2O2 — CID 68846646

IUPAC2-[3-(3-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(C)(C)c1cccc(-c2noc(CCO)n2)c1
InChIInChI=1S/C14H18N2O2/c1-14(2,3)11-6-4-5-10(9-11)13-15-12(7-8-17)18-16-13/h4-6,9,17H,7-8H2,1-3H3
InChIKeyOHQZKDGZOUFBMV-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.57
Rot. Bonds3

About 2-[3-(3-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethanol

2-[3-(3-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 68846646) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[3-(3-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-(3-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID68846646
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[3-(3-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(C)(C)c1cccc(-c2noc(CCO)n2)c1
InChIInChI=1S/C14H18N2O2/c1-14(2,3)11-6-4-5-10(9-11)13-15-12(7-8-17)18-16-13/h4-6,9,17H,7-8H2,1-3H3
InChIKeyOHQZKDGZOUFBMV-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191685
3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201009
3-[3-[3-[5-(2-carboxyethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 102054948
5-(2-hydroxyethyl)-4-methyl-2-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 135922205
1,1-difluoro-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346960
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63345084
N-methyl-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347519
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 62047775
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348158
3-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]phenol
CID 62503643
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
N-[(1R)-1-phenylethyl]-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100755550

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-[3-(3-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 68846646) is 2-[3-(3-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-(3-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-[3-(3-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethanol is CC(C)(C)c1cccc(-c2noc(CCO)n2)c1.
What is the InChIKey of 2-[3-(3-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is OHQZKDGZOUFBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2,3)11-6-4-5-10(9-11)13-15-12(7-8-17)18-16-13/h4-6,9,17H,7-8H2,1-3H3.
What are the key properties of 2-[3-(3-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethanol?
2-[3-(3-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 246.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 68846646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).