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

C13H16N2O3 — CID 79732954

IUPAC5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
SMILESCOc1ccc(-c2nc(C(C)(C)C)no2)cc1O
InChIInChI=1S/C13H16N2O3/c1-13(2,3)12-14-11(18-15-12)8-5-6-10(17-4)9(16)7-8/h5-7,16H,1-4H3
InChIKeyVIEHOCIQCQCVFN-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.75
Rot. Bonds2

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

5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol (PubChem CID 79732954) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol.

Molecular Properties

Compound Name5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
PubChem CID79732954
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
SMILESCOc1ccc(-c2nc(C(C)(C)C)no2)cc1O
InChIInChI=1S/C13H16N2O3/c1-13(2,3)12-14-11(18-15-12)8-5-6-10(17-4)9(16)7-8/h5-7,16H,1-4H3
InChIKeyVIEHOCIQCQCVFN-UHFFFAOYSA-N
XLogP2.75
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol?
The IUPAC name of 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol (CID 79732954) is 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol.
What is the SMILES notation for 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol?
The canonical SMILES for 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol is COc1ccc(-c2nc(C(C)(C)C)no2)cc1O.
What is the InChIKey of 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol?
The InChIKey is VIEHOCIQCQCVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(2,3)12-14-11(18-15-12)8-5-6-10(17-4)9(16)7-8/h5-7,16H,1-4H3.
What are the key properties of 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol?
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol has a molecular weight of 248.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol is sourced from PubChem (CID 79732954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).