N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide

N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide

Formula: C21H14ClN3O5

SMILES: COC1=CC=C(C=C1[N+]([O-])=O)C(=O)NC1=CC=C2OC(=NC2=C1)C1=CC=CC(Cl)=C1

IUPAC: N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide

InChI: InChI=1S/C21H14ClN3O5/c1-29-19-7-5-12(10-17(19)25(27)28)20(26)23-15-6-8-18-16(11-15)24-21(30-18)13-3-2-4-14(22)9-13/h2-11H,1H3,(H,23,26)

Composition: C (59.52%), H (3.33%), Cl (8.36%), N (9.92%), O (18.88%)

Molar Mass: 423.81

Atom Count: 44

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	423.0621983
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	CMDJQHHFCYUHLQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.95
Topological Polar Surface Area	107.5
Polarizability	42.97
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H14ClN3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00