4-amino-N-(2-{[(5-chloro-2-methoxyphenyl)methyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(2-{[(5-chloro-2-methoxyphenyl)methyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide

Formula: C13H16ClN5O3

SMILES: COC1=CC=C(Cl)C=C1CNCCNC(=O)C1=NON=C1N

IUPAC: 4-amino-N-(2-{[(5-chloro-2-methoxyphenyl)methyl]amino}ethyl)-1,2,5-oxadiazole-3-carboxamide

InChI: InChI=1S/C13H16ClN5O3/c1-21-10-3-2-9(14)6-8(10)7-16-4-5-17-13(20)11-12(15)19-22-18-11/h2-3,6,16H,4-5,7H2,1H3,(H2,15,19)(H,17,20)

Composition: C (47.93%), H (4.95%), Cl (10.88%), N (21.50%), O (14.73%)

Molar Mass: 325.75

Atom Count: 38

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	325.0941671
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	FWRNOJVHIGOKCY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.65
Topological Polar Surface Area	115.3
Polarizability	30.59
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H16ClN5O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00