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3,5-dimethyl-N-{5-methyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl}-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-{5-methyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl}-1,2-oxazole-4-carboxamide

CAS: 866156-15-2

Formula: C20H17N3O4

SMILES: CC1=C(C(=O)NC2=CC3=C(OC4=C(NC3=O)C=CC(C)=C4)C=C2)C(C)=NO1

IUPAC: 3,5-dimethyl-N-{5-methyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl}-1,2-oxazole-4-carboxamide

InChI: InChI=1S/C20H17N3O4/c1-10-4-6-15-17(8-10)26-16-7-5-13(9-14(16)19(24)22-15)21-20(25)18-11(2)23-27-12(18)3/h4-9H,1-3H3,(H,21,25)(H,22,24)

Composition: C (66.11%), H (4.72%), N (11.56%), O (17.61%)

Molar Mass: 363.373

Atom Count: 44

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 363.121906039
Formal Charge 0
FSP3 0.15
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey HWBOXVDIGTURGT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 103.53
Topological Polar Surface Area 93.46
Polarizability 36.86
Ring Count 4
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 866156-15-2 $51.35-$86.31$51.35$63.37$86.31
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