3-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole-5-carboxamide

3-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole-5-carboxamide

CAS: 1119452-61-7

Formula: C14H16N4O2

SMILES: NCC1=NOC(=N1)C(=O)NC1CCCC2=C1C=CC=C2

IUPAC: 3-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole-5-carboxamide

InChI: InChI=1/C14H16N4O2/c15-8-12-17-14(20-18-12)13(19)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11H,3,5,7-8,15H2,(H,16,19)

Composition: C (61.75%), H (5.92%), N (20.58%), O (11.75%)

Molar Mass: 272.308

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	272.127325771
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	HDKIXRPNAMOHCV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.9
Topological Polar Surface Area	94.04
Polarizability	27.83
Ring Count	3
Rotatable Bond Count	3

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