1-[3-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methanamine

1-[3-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methanamine

CAS: 885273-58-5

Formula: C11H10N2O3

SMILES: NCC1=CC(=NO1)C1=CC=C2OCOC2=C1

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

InChI: InChI=1S/C11H10N2O3/c12-5-8-4-9(13-16-8)7-1-2-10-11(3-7)15-6-14-10/h1-4H,5-6,12H2

Composition: C (60.55%), H (4.62%), N (12.84%), O (22.00%)

Molar Mass: 218.212

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	218.06914219
Formal Charge	0
FSP3	0.18
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PMQSXFKUYPGQGN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.38
Topological Polar Surface Area	70.51
Polarizability	23.09
Ring Count	3
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	885273-58-5		$179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70