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5-acetyl-6-methyl-2-{[(3-phenyl-1,2-oxazol-5-yl)methyl]amino}pyridine-3-carbonitrile

5-acetyl-6-methyl-2-{[(3-phenyl-1,2-oxazol-5-yl)methyl]amino}pyridine-3-carbonitrile

CAS: 338749-67-0

Formula: C19H16N4O2

SMILES: CC(=O)C1=C(C)N=C(NCC2=CC(=NO2)C2=CC=CC=C2)C(=C1)C#N

IUPAC: 5-acetyl-6-methyl-2-{[(3-phenyl-1,2-oxazol-5-yl)methyl]amino}pyridine-3-carbonitrile

InChI: InChI=1S/C19H16N4O2/c1-12-17(13(2)24)8-15(10-20)19(22-12)21-11-16-9-18(23-25-16)14-6-4-3-5-7-14/h3-9H,11H2,1-2H3,(H,21,22)

Composition: C (68.66%), H (4.85%), N (16.86%), O (9.63%)

Molar Mass: 332.363

Atom Count: 41

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 332.127325771
Formal Charge 0
FSP3 0.16
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey CQTNLKNNUSTTPN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.82
Topological Polar Surface Area 91.81
Polarizability 36.27
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338749-67-0 $51.35-$524.40$51.35$63.37$86.31$524.40
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