N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide

N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide

Formula: C25H23N3O4

SMILES: CC1=CC(=CC=C1[N+]([O-])=O)C(=O)NC1=CC=C2OC(=NC2=C1)C1=CC=C(C=C1)C(C)(C)C

IUPAC: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide

InChI: InChI=1S/C25H23N3O4/c1-15-13-17(7-11-21(15)28(30)31)23(29)26-19-10-12-22-20(14-19)27-24(32-22)16-5-8-18(9-6-16)25(2,3)4/h5-14H,1-4H3,(H,26,29)

Composition: C (69.92%), H (5.40%), N (9.78%), O (14.90%)

Molar Mass: 429.476

Atom Count: 55

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	429.168856233
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	UJLKRXKQQJNNNR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	133.39
Topological Polar Surface Area	98.27
Polarizability	47.62
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H23N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00