5-(3-cyanophenyl)-1,2-oxazole-3-carboxylic acid

5-(3-cyanophenyl)-1,2-oxazole-3-carboxylic acid

CAS: 956360-07-9

Formula: C11H6N2O3

SMILES: OC(=O)C1=NOC(=C1)C1=CC(=CC=C1)C#N

IUPAC: 5-(3-cyanophenyl)-1,2-oxazole-3-carboxylic acid

InChI: InChI=1S/C11H6N2O3/c12-6-7-2-1-3-8(4-7)10-5-9(11(14)15)13-16-10/h1-5H,(H,14,15)

Composition: C (61.69%), H (2.82%), N (13.08%), O (22.41%)

Molar Mass: 214.18

Atom Count: 22

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	214.037842061
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WOBMZDOJEBOCCU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.12
Topological Polar Surface Area	87.12
Polarizability	21.45
Ring Count	2
Rotatable Bond Count	2

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