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1-{2-[4-(benzyloxy)phenyl]-1,3-oxazol-4-yl}methanamine

1-{2-[4-(benzyloxy)phenyl]-1,3-oxazol-4-yl}methanamine

CAS: 885273-44-9

Formula: C17H16N2O2

SMILES: NCC1=COC(=N1)C1=CC=C(OCC2=CC=CC=C2)C=C1

IUPAC: 1-{2-[4-(benzyloxy)phenyl]-1,3-oxazol-4-yl}methanamine

InChI: InChI=1S/C17H16N2O2/c18-10-15-12-21-17(19-15)14-6-8-16(9-7-14)20-11-13-4-2-1-3-5-13/h1-9,12H,10-11,18H2

Composition: C (72.84%), H (5.75%), N (9.99%), O (11.41%)

Molar Mass: 280.327

Atom Count: 37

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 280.121177763
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NJPXTQJYUAGDHA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.9
Topological Polar Surface Area 61.28
Polarizability 32.07
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 885273-44-9 $207.00-$5,612.00$207.00$299.00$483.00$851.00$1,587.00$5,612.00
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