4-amino-2-(1,3-benzoxazol-2-yl)-6-methylphenol

4-amino-2-(1,3-benzoxazol-2-yl)-6-methylphenol

CAS: 626218-32-4

Formula: C14H12N2O2

SMILES: CC1=CC(N)=CC(C2=NC3=CC=CC=C3O2)=C1O

IUPAC: 4-amino-2-(1,3-benzoxazol-2-yl)-6-methylphenol

InChI: InChI=1S/C14H12N2O2/c1-8-6-9(15)7-10(13(8)17)14-16-11-4-2-3-5-12(11)18-14/h2-7,17H,15H2,1H3

Composition: C (69.99%), H (5.03%), N (11.66%), O (13.32%)

Molar Mass: 240.262

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	240.089877634
Formal Charge	0
FSP3	0.07
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	IELACHKGVHRASW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.55
Topological Polar Surface Area	72.28
Polarizability	27.64
Ring Count	3
Rotatable Bond Count	1

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