(R)-5-Chloro-2-(5-methyl-1,4-diazepan-1-yl)benzo[D]oxazole

C₁₃H₁₆ClN₃OCAS 1266975-27-2265.74 g/mol

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Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₃H₁₆ClN₃O
Molar mass: 265.74 g/mol
Exact mass: 265.0982 Da
logP: 2.67Crippen estimate
Polar surface area: 41.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

1266975-27-2

SMILES

C[C@@H]1CCN(CCN1)C2=NC3=C(O2)C=CC(=C3)Cl

InChIKey

RADJSLVGESASMK-SECBINFHSA-N

InChI

InChI=1S/C13H16ClN3O/c1-9-4-6-17(7-5-15-9)13-16-11-8-10(14)2-3-12(11)18-13/h2-3,8-9,15H,4-7H2,1H3/t9-/m1/s1

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Names and synonyms

1 names

5-Chloro-2-((5R)-5-methyl-1,4-diazepan-1-yl)-1,3-benzoxazole

Work with (R)-5-Chloro-2-(5-methyl-1,4-diazepan-1-yl)benzo[D]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

5-Chloro-2-((R)-5-methyl-[1,4]diazepan-1-yl)-benzooxazole hydrochloride1266664-66-794 % similar Suvorexant1030377-33-345 % similar 5-Chloro-2-methylbenzoxazole19219-99-942 % similar 5-Chloro-2-mercaptobenzoxazole22876-19-342 % similar Chlorzoxazone95-25-039 % similar Macrolex yellow94945-27-435 % similar Chloroquine54-05-734 % similar (±)-Desethylchloroquine1476-52-432 % similar

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

Elsewhere

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