1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanamine hydrochloride

1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanamine hydrochloride

CAS: 1185302-47-9

Formula: C12H15ClN2O3

SMILES: Cl.COC1=C(OC)C=C(C=C1)C1=CC(CN)=NO1

IUPAC: 1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanamine hydrochloride

InChI: InChI=1S/C12H14N2O3.ClH/c1-15-10-4-3-8(5-12(10)16-2)11-6-9(7-13)14-17-11;/h3-6H,7,13H2,1-2H3;1H

Composition: C (53.24%), H (5.59%), Cl (13.10%), N (10.35%), O (17.73%)

Molar Mass: 270.71

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	270.0771201
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LFXYNBWPFOMINX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.39
Topological Polar Surface Area	70.51
Polarizability	25.66
Ring Count	2
Rotatable Bond Count	4

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Kinentia Biosciences LLC

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