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

C12H14N2O2 — CID 135981395

IUPAC4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol
SMILESCC(C)(C)c1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C12H14N2O2/c1-12(2,3)11-13-10(14-16-11)8-4-6-9(15)7-5-8/h4-7,15H,1-3H3
InChIKeyPNRRKQONICNZPQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.74
Rot. Bonds1

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

4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol (PubChem CID 135981395) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol.

Molecular Properties

Compound Name4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol
PubChem CID135981395
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol
SMILESCC(C)(C)c1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C12H14N2O2/c1-12(2,3)11-13-10(14-16-11)8-4-6-9(15)7-5-8/h4-7,15H,1-3H3
InChIKeyPNRRKQONICNZPQ-UHFFFAOYSA-N
XLogP2.74
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 25219299
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135912791
4-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
CID 136889344
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61267111
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61267112
5-tert-butyl-3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazole
CID 71618210
N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide
CID 71936259
5-tert-butyl-3-(6-ethylsulfanyl-3-pyridinyl)-1,2,4-oxadiazole
CID 2740803
N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 71883583
(2S)-N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-ethoxypropanamide
CID 95154294
5-(3-fluoro-2,3-dimethylbutan-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 15526324

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol?
The IUPAC name of 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol (CID 135981395) is 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol.
What is the SMILES notation for 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol?
The canonical SMILES for 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol is CC(C)(C)c1nc(-c2ccc(O)cc2)no1.
What is the InChIKey of 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol?
The InChIKey is PNRRKQONICNZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-12(2,3)11-13-10(14-16-11)8-4-6-9(15)7-5-8/h4-7,15H,1-3H3.
What are the key properties of 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol?
4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol has a molecular weight of 218.26 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol is sourced from PubChem (CID 135981395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).