1-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine hydrochloride

1-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine hydrochloride

CAS: 1185302-68-4

Formula: C10H10ClN3O3

SMILES: Cl.NCC1=NOC(=N1)C1=CC2=C(OCO2)C=C1

IUPAC: 1-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine hydrochloride

InChI: InChI=1S/C10H9N3O3.ClH/c11-4-9-12-10(16-13-9)6-1-2-7-8(3-6)15-5-14-7;/h1-3H,4-5,11H2;1H

Composition: C (46.98%), H (3.94%), Cl (13.87%), N (16.44%), O (18.77%)

Molar Mass: 255.66

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	255.0410689
Formal Charge	0
FSP3	0.2
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	WKTHWJOMKSGKSI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.53
Topological Polar Surface Area	83.4
Polarizability	21.59
Ring Count	3
Rotatable Bond Count	2

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