ethyl 3-phenyl-1,2-oxazole-5-carboxylate

ethyl 3-phenyl-1,2-oxazole-5-carboxylate

CAS: 13599-24-1

Formula: C12H11NO3

SMILES: CCOC(=O)C1=CC(=NO1)C1=CC=CC=C1

IUPAC: ethyl 3-phenyl-1,2-oxazole-5-carboxylate

InChI: InChI=1S/C12H11NO3/c1-2-15-12(14)11-8-10(13-16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3

Composition: C (66.35%), H (5.10%), N (6.45%), O (22.10%)

Molar Mass: 217.224

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	217.073893218
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XYKADOXYAZEDNB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.92
Topological Polar Surface Area	52.33
Polarizability	23.53
Ring Count	2
Rotatable Bond Count	4

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