2-Piperidin-4-yl-benzooxazole

C₁₂H₁₄N₂OCAS 51784-03-3202.26 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₂H₁₄N₂O
Molar mass: 202.26 g/mol
Exact mass: 202.1106 Da
logP: 2.29Crippen estimate
Polar surface area: 38.1 Å²
H-bond donors / acceptors: 1 / 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

51784-03-3

SMILES

C1CNCCC1C2=NC3=CC=CC=C3O2

InChIKey

YHVZEPIEDXIJJT-UHFFFAOYSA-N

InChI

InChI=1S/C12H14N2O/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2

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Names and synonyms

1 names

2-(Piperidin-4-yl)-1,3-benzoxazole

Work with 2-Piperidin-4-yl-benzooxazole

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-Benzoxazolyl)malondialdehyde40071-07-650 % similar 2-(4-Methylpiperidin-4-yl)benzo[D]oxazole1341609-27-548 % similar 2-(4-Piperidinyl)-1H-benzimidazole38385-95-448 % similar 2-Phenylbenzoxazole833-50-144 % similar 3-(4-Piperidinyl)-1,2-benzisoxazole hydrochloride84163-22-444 % similar 4-Phenylpiperidine771-99-344 % similar 1-(1,3-Benzoxazol-2-yl)methanamine101333-98-642 % similar 2-Ethynyl-1,3-benzoxazole40176-79-242 % similar

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

Same formula

4-Benzylmorpholine-2-carbonitrile126645-52-1 2-(3,4-Dimethylphenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one18048-64-1 2-(3,4-Dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one277299-70-4

Elsewhere

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