2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol

C13H16N2O2 — CID 80740910

IUPAC2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol
SMILESCC(C)(C)c1noc(Cc2ccccc2O)n1
InChIInChI=1S/C13H16N2O2/c1-13(2,3)12-14-11(17-15-12)8-9-6-4-5-7-10(9)16/h4-7,16H,8H2,1-3H3
InChIKeyUWNSWLHXFBKSML-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.66
Rot. Bonds2

About 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol

2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol (PubChem CID 80740910) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol
PubChem CID80740910
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol
SMILESCC(C)(C)c1noc(Cc2ccccc2O)n1
InChIInChI=1S/C13H16N2O2/c1-13(2,3)12-14-11(17-15-12)8-9-6-4-5-7-10(9)16/h4-7,16H,8H2,1-3H3
InChIKeyUWNSWLHXFBKSML-UHFFFAOYSA-N
XLogP2.66
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol?
The IUPAC name of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol (CID 80740910) is 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol.
What is the SMILES notation for 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol?
The canonical SMILES for 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol is CC(C)(C)c1noc(Cc2ccccc2O)n1.
What is the InChIKey of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol?
The InChIKey is UWNSWLHXFBKSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2,3)12-14-11(17-15-12)8-9-6-4-5-7-10(9)16/h4-7,16H,8H2,1-3H3.
What are the key properties of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol?
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol has a molecular weight of 232.28 g/mol, XLogP of 2.66, 2 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)methyl]phenol is sourced from PubChem (CID 80740910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).