2-{[3,5-bis(trifluoromethyl)phenyl]methyl}-5-tert-butyl-1,3-benzoxazole

2-{[3,5-bis(trifluoromethyl)phenyl]methyl}-5-tert-butyl-1,3-benzoxazole

Formula: C20H17F6NO

SMILES: CC(C)(C)C1=CC=C2OC(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)=NC2=C1

IUPAC: 2-{[3,5-bis(trifluoromethyl)phenyl]methyl}-5-tert-butyl-1,3-benzoxazole

InChI: InChI=1S/C20H17F6NO/c1-18(2,3)12-4-5-16-15(10-12)27-17(28-16)8-11-6-13(19(21,22)23)9-14(7-11)20(24,25)26/h4-7,9-10H,8H2,1-3H3

Composition: C (59.85%), H (4.27%), F (28.40%), N (3.49%), O (3.99%)

Molar Mass: 401.352

Atom Count: 45

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	401.121433149
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	GEANOBNWKXXOPA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	92.5
Topological Polar Surface Area	26.03
Polarizability	34.63
Ring Count	3
Rotatable Bond Count	5

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<5 Days	C20H17F6NO		$1,541.00-$2,420.00$1,541.00$1,920.00$2,420.00