5-tert-butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole

5-tert-butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole

CAS: 1004398-30-4

Formula: C12H13N3O3

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

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

InChI: InChI=1S/C12H13N3O3/c1-12(2,3)11-13-10(14-18-11)8-5-4-6-9(7-8)15(16)17/h4-7H,1-3H3

Composition: C (58.29%), H (5.30%), N (17.00%), O (19.41%)

Molar Mass: 247.254

Atom Count: 31

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	247.095691291
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	KYPMVLKLTRSNTQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.55
Topological Polar Surface Area	82.06
Polarizability	24.89
Ring Count	2
Rotatable Bond Count	3

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