3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid

CAS: 775304-11-5

Formula: C12H10N2O3

SMILES: OC(=O)C1=CC(=CC=C1)C1=NOC(=N1)C1CC1

IUPAC: 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid

InChI: InChI=1S/C12H10N2O3/c15-12(16)9-3-1-2-8(6-9)10-13-11(17-14-10)7-4-5-7/h1-3,6-7H,4-5H2,(H,15,16)

Composition: C (62.61%), H (4.38%), N (12.17%), O (20.85%)

Molar Mass: 230.223

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	230.06914219
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BINCAUXZQKKNIA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.18
Topological Polar Surface Area	76.22
Polarizability	22.79
Ring Count	3
Rotatable Bond Count	3

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