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3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylaniline

3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylaniline

CAS: 354561-71-0

Formula: C16H16N2O

SMILES: CC1=C(C)C=C2N=C(OC2=C1)C1=CC=CC(N)=C1C

IUPAC: 3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylaniline

InChI: InChI=1S/C16H16N2O/c1-9-7-14-15(8-10(9)2)19-16(18-14)12-5-4-6-13(17)11(12)3/h4-8H,17H2,1-3H3

Composition: C (76.16%), H (6.39%), N (11.10%), O (6.34%)

Molar Mass: 252.317

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 252.126263143
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey UYRCQVZYZSCLIK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.65
Topological Polar Surface Area 52.05
Polarizability 30.6
Ring Count 3
Rotatable Bond Count 1

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