4-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine

4-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine

CAS: 478692-83-0

Formula: C18H14N4O

SMILES: CC1=CC=C(C=C1)C1=C2C=C(C=CC2=NO1)C1=NC(N)=NC=C1

IUPAC: 4-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine

InChI: InChI=1S/C18H14N4O/c1-11-2-4-12(5-3-11)17-14-10-13(6-7-16(14)22-23-17)15-8-9-20-18(19)21-15/h2-10H,1H3,(H2,19,20,21)

Composition: C (71.51%), H (4.67%), N (18.53%), O (5.29%)

Molar Mass: 302.337

Atom Count: 37

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	302.116761087
Formal Charge	0
FSP3	0.06
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HQQXGHPTBZQCAG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.71
Topological Polar Surface Area	77.83
Polarizability	36.98
Ring Count	4
Rotatable Bond Count	2

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