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3-phenyl-6-(pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

3-phenyl-6-(pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

CAS: 1018051-37-0

Formula: C18H11N3O3

SMILES: OC(=O)C1=C2C(ON=C2C2=CC=CC=C2)=NC(=C1)C1=CC=CN=C1

IUPAC: 3-phenyl-6-(pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

InChI: InChI=1S/C18H11N3O3/c22-18(23)13-9-14(12-7-4-8-19-10-12)20-17-15(13)16(21-24-17)11-5-2-1-3-6-11/h1-10H,(H,22,23)

Composition: C (68.14%), H (3.49%), N (13.24%), O (15.13%)

Molar Mass: 317.304

Atom Count: 35

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 317.080041226
Formal Charge 0
FSP3 0
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey CLUSOXSMRGKUGZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.25
Topological Polar Surface Area 89.11
Polarizability 35.64
Ring Count 4
Rotatable Bond Count 3

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