3-{5-[(4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}benzaldehyde

3-{5-[(4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}benzaldehyde

CAS: 1119449-57-8

Formula: C16H19N3O2

SMILES: CC1CCN(CC2=NC(=NO2)C2=CC=CC(C=O)=C2)CC1

IUPAC: 3-{5-[(4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}benzaldehyde

InChI: InChI=1S/C16H19N3O2/c1-12-5-7-19(8-6-12)10-15-17-16(18-21-15)14-4-2-3-13(9-14)11-20/h2-4,9,11-12H,5-8,10H2,1H3

Composition: C (67.35%), H (6.71%), N (14.73%), O (11.21%)

Molar Mass: 285.347

Atom Count: 40

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	285.147726864
Formal Charge	0
FSP3	0.44
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ITBBPTITTKPLMO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.23
Topological Polar Surface Area	59.23
Polarizability	31.29
Ring Count	3
Rotatable Bond Count	4

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