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

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

CAS: 500026-33-5

Formula: C12H12N2O4

SMILES: COC1=CC=CC(=C1)C1=NOC(CCC(O)=O)=N1

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

InChI: InChI=1S/C12H12N2O4/c1-17-9-4-2-3-8(7-9)12-13-10(18-14-12)5-6-11(15)16/h2-4,7H,5-6H2,1H3,(H,15,16)

Composition: C (58.06%), H (4.87%), N (11.29%), O (25.78%)

Molar Mass: 248.238

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	248.079706874
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	OAQGUCLRBDBMQR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.88
Topological Polar Surface Area	85.45
Polarizability	24.33
Ring Count	2
Rotatable Bond Count	5

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