5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid

5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid

CAS: 748743-73-9

Formula: C7H10N2O3

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

IUPAC: 5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid

InChI: InChI=1S/C7H10N2O3/c1-7(2,3)6-8-4(5(10)11)9-12-6/h1-3H3,(H,10,11)

Composition: C (49.41%), H (5.92%), N (16.46%), O (28.21%)

Molar Mass: 170.168

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.06914219
Formal Charge	0
FSP3	0.57
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FHJXCPARNFHMSZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.73
Topological Polar Surface Area	76.22
Polarizability	15.23
Ring Count	1
Rotatable Bond Count	2

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