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

C13H17NO2 — CID 135621481

IUPAC2-tert-butyl-4-(4,5-dihydro-1,3-oxazol-2-yl)phenol
SMILESCC(C)(C)c1cc(C2=NCCO2)ccc1O
InChIInChI=1S/C13H17NO2/c1-13(2,3)10-8-9(4-5-11(10)15)12-14-6-7-16-12/h4-5,8,15H,6-7H2,1-3H3
InChIKeyCYZVXPYZQJXPKW-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.47
Rot. Bonds1

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

2-tert-butyl-4-(4,5-dihydro-1,3-oxazol-2-yl)phenol (PubChem CID 135621481) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-tert-butyl-4-(4,5-dihydro-1,3-oxazol-2-yl)phenol.

Molecular Properties

Compound Name2-tert-butyl-4-(4,5-dihydro-1,3-oxazol-2-yl)phenol
PubChem CID135621481
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-tert-butyl-4-(4,5-dihydro-1,3-oxazol-2-yl)phenol
SMILESCC(C)(C)c1cc(C2=NCCO2)ccc1O
InChIInChI=1S/C13H17NO2/c1-13(2,3)10-8-9(4-5-11(10)15)12-14-6-7-16-12/h4-5,8,15H,6-7H2,1-3H3
InChIKeyCYZVXPYZQJXPKW-UHFFFAOYSA-N
XLogP2.47
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenol
CID 136740069
3-(4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 139059691
3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-methylbutanoic acid
CID 117370356
2-tert-butyl-4-[5-(3-tert-butyl-4-hydroxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenol
CID 154164064
2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 67984069
2-tert-butyl-4-(4-methoxyphenyl)phenol
CID 135087141
1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one
CID 84671437
2-tert-butyl-4-(4-cyclohexylphenyl)phenol
CID 19694694
2-quinolin-6-yl-4,5-dihydro-1,3-oxazole
CID 174566262
2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole
CID 139743368
CID 59773748
CID 59773748
2,4-ditert-butylphenol;tris(2,4-ditert-butylphenolate);gadolinium(3+);oxolane
CID 139161836

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4,5-dihydro-1,3-oxazol-2-yl)phenol?
The IUPAC name of 2-tert-butyl-4-(4,5-dihydro-1,3-oxazol-2-yl)phenol (CID 135621481) is 2-tert-butyl-4-(4,5-dihydro-1,3-oxazol-2-yl)phenol.
What is the SMILES notation for 2-tert-butyl-4-(4,5-dihydro-1,3-oxazol-2-yl)phenol?
The canonical SMILES for 2-tert-butyl-4-(4,5-dihydro-1,3-oxazol-2-yl)phenol is CC(C)(C)c1cc(C2=NCCO2)ccc1O.
What is the InChIKey of 2-tert-butyl-4-(4,5-dihydro-1,3-oxazol-2-yl)phenol?
The InChIKey is CYZVXPYZQJXPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,3)10-8-9(4-5-11(10)15)12-14-6-7-16-12/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of 2-tert-butyl-4-(4,5-dihydro-1,3-oxazol-2-yl)phenol?
2-tert-butyl-4-(4,5-dihydro-1,3-oxazol-2-yl)phenol has a molecular weight of 219.28 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4,5-dihydro-1,3-oxazol-2-yl)phenol is sourced from PubChem (CID 135621481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).