N-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}cyclopropanamine

N-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}cyclopropanamine

Formula: C12H12ClN3O

SMILES: ClC1=CC=CC=C1C1=NN=C(CNC2CC2)O1

IUPAC: N-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}cyclopropanamine

InChI: InChI=1S/C12H12ClN3O/c13-10-4-2-1-3-9(10)12-16-15-11(17-12)7-14-8-5-6-8/h1-4,8,14H,5-7H2

Composition: C (57.72%), H (4.84%), Cl (14.20%), N (16.83%), O (6.41%)

Molar Mass: 249.7

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	249.0668897
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MBDFYORTHJQNEZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.68
Topological Polar Surface Area	50.95
Polarizability	25.77
Ring Count	3
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H12ClN3O		Quote Only