3-bromo-5-cyclobutyl-1,2,4-oxadiazole

3-bromo-5-cyclobutyl-1,2,4-oxadiazole

CAS: 1359822-65-3

Formula: C6H7BrN2O

SMILES: BrC1=NOC(=N1)C1CCC1

IUPAC: 3-bromo-5-cyclobutyl-1,2,4-oxadiazole

InChI: InChI=1S/C6H7BrN2O/c7-6-8-5(10-9-6)4-2-1-3-4/h4H,1-3H2

Composition: C (35.49%), H (3.48%), Br (39.35%), N (13.80%), O (7.88%)

Molar Mass: 203.039

Atom Count: 17

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	201.974176
Formal Charge	0
FSP3	0.67
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	BSTMGFYKJQTKSO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.21
Topological Polar Surface Area	38.92
Polarizability	15.19
Ring Count	2
Rotatable Bond Count	1

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