3-(3-nitrophenyl)-5-propyl-1,2,4-oxadiazole

3-(3-nitrophenyl)-5-propyl-1,2,4-oxadiazole

CAS: 1033202-02-6

Formula: C11H11N3O3

SMILES: CCCC1=NC(=NO1)C1=CC=CC(=C1)[N+]([O-])=O

IUPAC: 3-(3-nitrophenyl)-5-propyl-1,2,4-oxadiazole

InChI: InChI=1S/C11H11N3O3/c1-2-4-10-12-11(13-17-10)8-5-3-6-9(7-8)14(15)16/h3,5-7H,2,4H2,1H3

Composition: C (56.65%), H (4.75%), N (18.02%), O (20.58%)

Molar Mass: 233.227

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	233.080041226
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	WRRZRQYMFZIGHF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.07
Topological Polar Surface Area	82.06
Polarizability	23.06
Ring Count	2
Rotatable Bond Count	4

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