4-[1-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]benzeneethanol

C₁₆H₂₃NO₂CAS 361382-26-5261.36 g/mol

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Properties

Molecular formula: C₁₆H₂₃NO₂
Molar mass: 261.36 g/mol
Exact mass: 261.1729 Da
logP: 2.71Crippen estimate
Polar surface area: 41.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Identifiers

CAS number

361382-26-5

SMILES

CC1(C)COC(C(C)(C)c2ccc(CCO)cc2)=N1

InChIKey

XJZPZWCCWIEQRR-UHFFFAOYSA-N

InChI

InChI=1S/C16H23NO2/c1-15(2)11-19-14(17-15)16(3,4)13-7-5-12(6-8-13)9-10-18/h5-8,18H,9-11H2,1-4H3

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Names and synonyms

1 names

Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-

Work with 4-[1-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]benzeneethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-[4-[1-(4,4-Dimethyl-5H-oxazol-2-yl)-1-methylethyl]phenyl]ethyl 4-methylbenzenesulfonate202189-76-255 % similar 4-(2-Hydroxyethyl)-α,α-dimethylbenzeneacetic acid552301-45-850 % similar 4-(1,1-Dimethylethyl)benzeneethanol5406-86-045 % similar 2-(4-Methoxyphenyl)ethanol702-23-835 % similar 4-Methylbenzeneethanol699-02-534 % similar 2,4,4-Trimethyl-2-oxazoline1772-43-633 % similar 2-(4-Ethylphenyl)-2-methylpropanoic acid1247119-83-033 % similar 4-tert-Butylbenzyl alcohol877-65-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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