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5-({[(1R,2S)-2-[4-(benzyloxy)phenyl]cyclopropyl]amino}methyl)-1,3,4-oxadiazol-2-amine

5-({[(1R,2S)-2-[4-(benzyloxy)phenyl]cyclopropyl]amino}methyl)-1,3,4-oxadiazol-2-amine

CAS: 1357362-02-7

Formula: C19H20N4O2

SMILES: [H][C@]1(C[C@@]1([H])C1=CC=C(OCC2=CC=CC=C2)C=C1)NCC1=NN=C(N)O1

IUPAC: 5-({[(1R,2S)-2-[4-(benzyloxy)phenyl]cyclopropyl]amino}methyl)-1,3,4-oxadiazol-2-amine

InChI: InChI=1S/C19H20N4O2/c20-19-23-22-18(25-19)11-21-17-10-16(17)14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16-17,21H,10-12H2,(H2,20,23)/t16-,17+/m0/s1

Composition: C (67.84%), H (5.99%), N (16.66%), O (9.51%)

Molar Mass: 336.395

Atom Count: 45

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 336.1586259
Formal Charge 0
FSP3 0.26
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey XBBRLCXCBCZIOI-DLBZAZTESA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.59
Topological Polar Surface Area 86.2
Polarizability 36.36
Ring Count 4
Rotatable Bond Count 7

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Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 1357362-02-7 $371.50-$1,985.15$371.50$593.94$1,313.24$1,985.15
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