2-(4-fluorophenyl)-1,3-benzoxazol-5-amine

2-(4-fluorophenyl)-1,3-benzoxazol-5-amine

CAS: 116248-10-3

Formula: C13H9FN2O

SMILES: NC1=CC=C2OC(=NC2=C1)C1=CC=C(F)C=C1

IUPAC: 2-(4-fluorophenyl)-1,3-benzoxazol-5-amine

InChI: InChI=1S/C13H9FN2O/c14-9-3-1-8(2-4-9)13-16-11-7-10(15)5-6-12(11)17-13/h1-7H,15H2

Composition: C (68.42%), H (3.98%), F (8.32%), N (12.27%), O (7.01%)

Molar Mass: 228.226

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	228.069891081
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OHKSDBATRIWCTK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.74
Topological Polar Surface Area	52.05
Polarizability	24.88
Ring Count	3
Rotatable Bond Count	1

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