3-(2H-1,3-benzodioxol-5-yl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine hydrochloride

3-(2H-1,3-benzodioxol-5-yl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine hydrochloride

CAS: 1185299-90-4

Formula: C13H13ClN2O3

SMILES: Cl.C1OC2=C(O1)C=C(C=C2)C1=NOC2=C1CNCC2

IUPAC: 3-(2H-1,3-benzodioxol-5-yl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine hydrochloride

InChI: InChI=1S/C13H12N2O3.ClH/c1-2-11-12(17-7-16-11)5-8(1)13-9-6-14-4-3-10(9)18-15-13;/h1-2,5,14H,3-4,6-7H2;1H

Composition: C (55.62%), H (4.67%), Cl (12.63%), N (9.98%), O (17.10%)

Molar Mass: 280.71

Atom Count: 32

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	280.06147
Formal Charge	0
FSP3	0.31
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	RBAGDVPAPGWYFN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.58
Topological Polar Surface Area	56.52
Polarizability	25.96
Ring Count	4
Rotatable Bond Count	1

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