4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid

4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid

CAS: 827014-22-2

Formula: C12H11ClN2O3

SMILES: OC(=O)CCCC1=NC(=NO1)C1=C(Cl)C=CC=C1

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

InChI: InChI=1S/C12H11ClN2O3/c13-9-5-2-1-4-8(9)12-14-10(18-15-12)6-3-7-11(16)17/h1-2,4-5H,3,6-7H2,(H,16,17)

Composition: C (54.05%), H (4.16%), Cl (13.29%), N (10.50%), O (18.00%)

Molar Mass: 266.68

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	266.0458199
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FWFICMBNADKWMD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.83
Topological Polar Surface Area	76.22
Polarizability	25.55
Ring Count	2
Rotatable Bond Count	5

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