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

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

CAS: 937597-62-1

Formula: C17H10N2O3S

SMILES: OC(=O)C1=C2C(ON=C2C2=CC=CC=C2)=NC(=C1)C1=CC=CS1

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

InChI: InChI=1S/C17H10N2O3S/c20-17(21)11-9-12(13-7-4-8-23-13)18-16-14(11)15(19-22-16)10-5-2-1-3-6-10/h1-9H,(H,20,21)

Composition: C (63.35%), H (3.13%), N (8.69%), O (14.89%), S (9.95%)

Molar Mass: 322.34

Atom Count: 33

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 322.041213364
Formal Charge 0
FSP3 0
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey NGIWJFWRTBWGSQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.3
Topological Polar Surface Area 76.22
Polarizability 35.19
Ring Count 4
Rotatable Bond Count 3

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