chempirical

2-(4-Methylpiperidin-4-yl)benzo[D]oxazole

C13H16N2OCAS 1341609-27-5216.28 g/mol

Open in Covalent MOL file
HNNO
Secondary amine

Properties

Molecular formula
C13H16N2O
Molar mass
216.28 g/mol
Exact mass
216.1263 Da
logP
2.47Crippen estimate
Polar surface area
38.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
1341609-27-5
SMILES
CC1(CCNCC1)C2=NC3=CC=CC=C3O2
InChIKey
VONPCQQZUIUOEJ-UHFFFAOYSA-N
InChI
InChI=1S/C13H16N2O/c1-13(6-8-14-9-7-13)12-15-10-4-2-3-5-11(10)16-12/h2-5,14H,6-9H2,1H3

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Work with 2-(4-Methylpiperidin-4-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

1-(1,3-Benzoxazol-2-yl)methanamine101333-98-641 % similar 2-Methylbenzoxazole95-21-641 % similar 2-Mercaptobenzoxazole2382-96-938 % similar 2(3H)-Benzoxazolone59-49-438 % similar 2-Chlorobenzoxazole615-18-938 % similar 2-Phenylbenzoxazole833-50-137 % similar 1,4-Bis(2-benzoxazolyl)naphthalene5089-22-535 % similar 4,4′-Bis(2-benzoxazolyl)stilbene1533-45-533 % similar

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

Same formula

3-[Ethyl(4-formyl-3-methylphenyl)amino]propanenitrile119-97-1 4-Hydroxy-1-(phenylmethyl)-4-piperidinecarbonitrile6094-60-6

Elsewhere

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