4,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)oxazole

C₁₀H₁₂N₂OCAS 68981-86-2176.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₂N₂O
Molar mass: 176.22 g/mol
Exact mass: 176.0950 Da
logP: 1.64Crippen estimate
Polar surface area: 34.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

68981-86-2

SMILES

CC1(COC(=N1)C2=CN=CC=C2)C

InChIKey

XYABHURTMBEOGW-UHFFFAOYSA-N

InChI

InChI=1S/C10H12N2O/c1-10(2)7-13-9(12-10)8-4-3-5-11-6-8/h3-6H,7H2,1-2H3

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Work with 4,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)oxazole

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-(2-Methoxyphenyl)-4,4-dimethyl-2-oxazoline57598-33-147 % similar Ethyl nicotinate614-18-643 % similar N,N-Diethylnicotinamide59-26-740 % similar Butyl nicotinate6938-06-340 % similar N′-Methylnicotinamide114-33-040 % similar 1-(3-Pyridyl)propan-1-one1570-48-540 % similar Myosmine532-12-740 % similar Methyl nicotinate93-60-740 % similar

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

Same formula

1,2,3,4-Tetrahydroisoquinoline-3-carboxamide112794-29-3 1H-Benzimidazole-2-propanol2403-66-9 6-(Pyrrolidin-1-yl)pyridine-3-carbaldehyde261715-39-3 4-Methyl-1-phenyl-3-pyrazolidone2654-57-1 1-Acetyl-5-amino-2,3-dihydro-(1H)-indole4993-96-8 Serotonin50-67-9 3-Phenylpiperazin-2-one5368-28-5 3-Dimethylamino-1-(3-pyridyl)-2-propen-1-one55314-16-4

Elsewhere

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