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

C12H15NO2 — CID 15197117

IUPAC(4,4-dimethyl-3-phenyl-5H-1,2-oxazol-5-yl)methanol
SMILESCC1(C)C(c2ccccc2)=NOC1CO
InChIInChI=1S/C12H15NO2/c1-12(2)10(8-14)15-13-11(12)9-6-4-3-5-7-9/h3-7,10,14H,8H2,1-2H3
InChIKeyOTXBKLUXNKYODP-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.81
Rot. Bonds2

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

(4,4-dimethyl-3-phenyl-5H-1,2-oxazol-5-yl)methanol (PubChem CID 15197117) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (4,4-dimethyl-3-phenyl-5H-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(4,4-dimethyl-3-phenyl-5H-1,2-oxazol-5-yl)methanol
PubChem CID15197117
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(4,4-dimethyl-3-phenyl-5H-1,2-oxazol-5-yl)methanol
SMILESCC1(C)C(c2ccccc2)=NOC1CO
InChIInChI=1S/C12H15NO2/c1-12(2)10(8-14)15-13-11(12)9-6-4-3-5-7-9/h3-7,10,14H,8H2,1-2H3
InChIKeyOTXBKLUXNKYODP-UHFFFAOYSA-N
XLogP1.81
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-3-phenyl-5H-1,2-oxazol-5-yl)methanol?
The IUPAC name of (4,4-dimethyl-3-phenyl-5H-1,2-oxazol-5-yl)methanol (CID 15197117) is (4,4-dimethyl-3-phenyl-5H-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (4,4-dimethyl-3-phenyl-5H-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (4,4-dimethyl-3-phenyl-5H-1,2-oxazol-5-yl)methanol is CC1(C)C(c2ccccc2)=NOC1CO.
What is the InChIKey of (4,4-dimethyl-3-phenyl-5H-1,2-oxazol-5-yl)methanol?
The InChIKey is OTXBKLUXNKYODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2)10(8-14)15-13-11(12)9-6-4-3-5-7-9/h3-7,10,14H,8H2,1-2H3.
What are the key properties of (4,4-dimethyl-3-phenyl-5H-1,2-oxazol-5-yl)methanol?
(4,4-dimethyl-3-phenyl-5H-1,2-oxazol-5-yl)methanol has a molecular weight of 205.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-3-phenyl-5H-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 15197117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).