3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-N-ethyl-N-methylbenzamide

3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-N-ethyl-N-methylbenzamide

CAS: 1119449-61-4

Formula: C13H14ClN3O2

SMILES: CCN(C)C(=O)C1=CC(=CC=C1)C1=NOC(CCl)=N1

IUPAC: 3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-N-ethyl-N-methylbenzamide

InChI: InChI=1S/C13H14ClN3O2/c1-3-17(2)13(18)10-6-4-5-9(7-10)12-15-11(8-14)19-16-12/h4-7H,3,8H2,1-2H3

Composition: C (55.82%), H (5.04%), Cl (12.67%), N (15.02%), O (11.44%)

Molar Mass: 279.72

Atom Count: 33

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	279.0774544
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PMABTQCCWOAMRD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.9
Topological Polar Surface Area	59.23
Polarizability	27.78
Ring Count	2
Rotatable Bond Count	4

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