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5-tert-butyl-2-(piperazin-1-yl)-1,3-benzoxazole hydrochloride

5-tert-butyl-2-(piperazin-1-yl)-1,3-benzoxazole hydrochloride

CAS: 1158487-44-5

Formula: C15H22ClN3O

SMILES: Cl.CC(C)(C)C1=CC=C2OC(=NC2=C1)N1CCNCC1

IUPAC: 5-tert-butyl-2-(piperazin-1-yl)-1,3-benzoxazole hydrochloride

InChI: InChI=1S/C15H21N3O.ClH/c1-15(2,3)11-4-5-13-12(10-11)17-14(19-13)18-8-6-16-7-9-18;/h4-5,10,16H,6-9H2,1-3H3;1H

Composition: C (60.91%), H (7.50%), Cl (11.98%), N (14.21%), O (5.41%)

Molar Mass: 295.81

Atom Count: 42

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 295.14514
Formal Charge 0
FSP3 0.53
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey YDURRBZMWUUCTA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.05
Topological Polar Surface Area 41.3
Polarizability 30.42
Ring Count 3
Rotatable Bond Count 2

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