5-[(3-methoxypropyl)amino]-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile

5-[(3-methoxypropyl)amino]-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile

Formula: C14H14N4O4

SMILES: COCCCNC1=C(N=C(O1)C1=CC=C(C=C1)[N+]([O-])=O)C#N

IUPAC: 5-[(3-methoxypropyl)amino]-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile

InChI: InChI=1S/C14H14N4O4/c1-21-8-2-7-16-14-12(9-15)17-13(22-14)10-3-5-11(6-4-10)18(19)20/h3-6,16H,2,7-8H2,1H3

Composition: C (55.63%), H (4.67%), N (18.53%), O (21.17%)

Molar Mass: 302.29

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	302.101504947
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	WWDCOWQKXGCDPB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.9
Topological Polar Surface Area	114.22
Polarizability	29.55
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H14N4O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00