3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

CAS: 94192-16-2

Formula: C12H12N2O3

SMILES: CC1=CC=CC(=C1)C1=NOC(CCC(O)=O)=N1

IUPAC: 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

InChI: InChI=1S/C12H12N2O3/c1-8-3-2-4-9(7-8)12-13-10(17-14-12)5-6-11(15)16/h2-4,7H,5-6H2,1H3,(H,15,16)

Composition: C (62.06%), H (5.21%), N (12.06%), O (20.67%)

Molar Mass: 232.239

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	232.084792254
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XODDCJFEBMABKW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.46
Topological Polar Surface Area	76.22
Polarizability	23.54
Ring Count	2
Rotatable Bond Count	4

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