N-(2-aminoethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide

N-(2-aminoethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide

CAS: 938002-50-7

Formula: C12H14N4O2

SMILES: CC1=CC(=CC=C1)C1=NOC(=N1)C(=O)NCCN

IUPAC: N-(2-aminoethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide

InChI: InChI=1S/C12H14N4O2/c1-8-3-2-4-9(7-8)10-15-12(18-16-10)11(17)14-6-5-13/h2-4,7H,5-6,13H2,1H3,(H,14,17)

Composition: C (58.53%), H (5.73%), N (22.75%), O (12.99%)

Molar Mass: 246.27

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	246.111675707
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ZNMJOFUZHBUYIA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.53
Topological Polar Surface Area	94.04
Polarizability	25.55
Ring Count	2
Rotatable Bond Count	4

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