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2-(2-phenyl-1,3-oxazol-4-yl)acetonitrile

2-(2-phenyl-1,3-oxazol-4-yl)acetonitrile

CAS: 30494-98-5

Formula: C11H8N2O

SMILES: N#CCC1=COC(=N1)C1=CC=CC=C1

IUPAC: 2-(2-phenyl-1,3-oxazol-4-yl)acetonitrile

InChI: InChI=1S/C11H8N2O/c12-7-6-10-8-14-11(13-10)9-4-2-1-3-5-9/h1-5,8H,6H2

Composition: C (71.73%), H (4.38%), N (15.21%), O (8.69%)

Molar Mass: 184.198

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 184.063662886
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey NLLYDPLGYXCDPO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.78
Topological Polar Surface Area 49.82
Polarizability 20.1
Ring Count 2
Rotatable Bond Count 2

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