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

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

CAS: 264264-32-6

Formula: C10H8N2O3

SMILES: CC1=NC(=NO1)C1=CC=CC(=C1)C(O)=O

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

InChI: InChI=1S/C10H8N2O3/c1-6-11-9(12-15-6)7-3-2-4-8(5-7)10(13)14/h2-5H,1H3,(H,13,14)

Composition: C (58.82%), H (3.95%), N (13.72%), O (23.51%)

Molar Mass: 204.185

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	204.053492126
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CEBJCUYZEOLQSC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.78
Topological Polar Surface Area	76.22
Polarizability	19.85
Ring Count	2
Rotatable Bond Count	2

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