(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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Related Compounds

4,4-dimethyl-3,5,5-triphenyl-1,2-oxazole
CID 125114444
4,5-bis(fluoromethyl)-4-(4-methylsulfanylphenyl)-3-phenyl-5H-1,2-oxazole
CID 141040160
3-(4-bromophenyl)-4,4,5-trimethyl-5H-1,2-oxazole
CID 164671063
4,4-dichloro-5-methyl-3-phenyl-1,2-oxazol-5-ol
CID 12905773
(3aS,7aS)-3a-methyl-3-phenyl-5,6,7,7a-tetrahydro-1,2-benzoxazol-4-one
CID 100988008
(5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 123528686
[(4S)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]methanol
CID 15529149
[(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 15259255
[(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 118379229
[3-(diphenylphosphorylmethyl)-3-methyloxiran-2-yl]methanol
CID 14928748
[(4S,5R)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol
CID 15529148
2-methyl-2,3-diphenylazirine
CID 13307627

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).