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ethyl 5-amino-2-phenyl-1,3-oxazole-4-carboxylate

ethyl 5-amino-2-phenyl-1,3-oxazole-4-carboxylate

CAS: 36231-81-9

Formula: C12H12N2O3

SMILES: CCOC(=O)C1=C(N)OC(=N1)C1=CC=CC=C1

IUPAC: ethyl 5-amino-2-phenyl-1,3-oxazole-4-carboxylate

InChI: InChI=1S/C12H12N2O3/c1-2-16-12(15)9-10(13)17-11(14-9)8-6-4-3-5-7-8/h3-7H,2,13H2,1H3

Composition: C (62.06%), H (5.21%), N (12.06%), O (20.67%)

Molar Mass: 232.239

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 232.084792254
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CVCNAHPOWFVTKQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.22
Topological Polar Surface Area 78.35
Polarizability 24.01
Ring Count 2
Rotatable Bond Count 4

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