3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol

C11H13NO2 — CID 12867078

IUPAC3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol
SMILESCC1(C)COC(c2cccc(O)c2)=N1
InChIInChI=1S/C11H13NO2/c1-11(2)7-14-10(12-11)8-4-3-5-9(13)6-8/h3-6,13H,7H2,1-2H3
InChIKeyDITFWVRRERYEFZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.95
Rot. Bonds1

About 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol

3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol (PubChem CID 12867078) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol.

Molecular Properties

Compound Name3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol
PubChem CID12867078
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol
SMILESCC1(C)COC(c2cccc(O)c2)=N1
InChIInChI=1S/C11H13NO2/c1-11(2)7-14-10(12-11)8-4-3-5-9(13)6-8/h3-6,13H,7H2,1-2H3
InChIKeyDITFWVRRERYEFZ-UHFFFAOYSA-N
XLogP1.95
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 226853
4,4-Dimethyl-2-(2-methoxyphenyl)oxazoline
CID 333189
Nocazoline A
CID 136099212
2-(4',4'-Dimethyl-3',4'-dihydrooxazol-2'-yl)phenol
CID 3074828
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-(3-methoxyphenyl)-1-methylethenyl)-
CID 6445994
Phenol oxazoline
CID 101287
Spoxazomicin C
CID 136065872
(S)-2-(2-hydroxyphenyl)-4-hydroxymethyl-4,5-dihydrooxazole
CID 136380875
2-(4-Methyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 137193005
2-(4,5-Dihydro-1,3-oxazol-2-yl)phenol
CID 346894
(S)-2-(4-Isopropyl-4,5-dihydrooxazol-2-yl)phenol
CID 135399781
4,4-Dimethyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-oxazolidin-5-one
CID 136274574

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol?
The IUPAC name of 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol (CID 12867078) is 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol.
What is the SMILES notation for 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol?
The canonical SMILES for 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol is CC1(C)COC(c2cccc(O)c2)=N1.
What is the InChIKey of 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol?
The InChIKey is DITFWVRRERYEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-11(2)7-14-10(12-11)8-4-3-5-9(13)6-8/h3-6,13H,7H2,1-2H3.
What are the key properties of 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol?
3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol has a molecular weight of 191.23 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol is sourced from PubChem (CID 12867078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).