5-butyl-3-(4-methylphenyl)-1,2,4-oxadiazole

5-butyl-3-(4-methylphenyl)-1,2,4-oxadiazole

CAS: 1033201-93-2

Formula: C13H16N2O

SMILES: CCCCC1=NC(=NO1)C1=CC=C(C)C=C1

IUPAC: 5-butyl-3-(4-methylphenyl)-1,2,4-oxadiazole

InChI: InChI=1S/C13H16N2O/c1-3-4-5-12-14-13(15-16-12)11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3

Composition: C (72.19%), H (7.46%), N (12.95%), O (7.40%)

Molar Mass: 216.284

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	216.126263143
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZEOZYTVTADWQDW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.4
Topological Polar Surface Area	38.92
Polarizability	24.77
Ring Count	2
Rotatable Bond Count	4

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