3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]benzamide hydrochloride

3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]benzamide hydrochloride

CAS: 1119449-55-6

Formula: C10H11ClN4O2

SMILES: Cl.NCC1=NC(=NO1)C1=CC=CC(=C1)C(N)=O

IUPAC: 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]benzamide hydrochloride

InChI: InChI=1S/C10H10N4O2.ClH/c11-5-8-13-10(14-16-8)7-3-1-2-6(4-7)9(12)15;/h1-4H,5,11H2,(H2,12,15);1H

Composition: C (47.16%), H (4.35%), Cl (13.92%), N (22.00%), O (12.56%)

Molar Mass: 254.67

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	254.0570533
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	KBUNHIFRZSDEFD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.96
Topological Polar Surface Area	108.03
Polarizability	21.94
Ring Count	2
Rotatable Bond Count	3

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