3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

CAS: 923884-15-5

Formula: C14H10N2O3

SMILES: CC1=NOC2=NC(=CC(C(O)=O)=C12)C1=CC=CC=C1

IUPAC: 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

InChI: InChI=1S/C14H10N2O3/c1-8-12-10(14(17)18)7-11(15-13(12)19-16-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,17,18)

Composition: C (66.14%), H (3.96%), N (11.02%), O (18.88%)

Molar Mass: 254.245

Atom Count: 29

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	254.06914219
Formal Charge	0
FSP3	0.07
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NNKBJIAZFVEYII-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.24
Topological Polar Surface Area	76.22
Polarizability	27.32
Ring Count	3
Rotatable Bond Count	2

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