5-(chloromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole

5-(chloromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole

CAS: 120003-15-8

Formula: C5H7ClN2O2

SMILES: COCC1=NOC(CCl)=N1

IUPAC: 5-(chloromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole

InChI: InChI=1S/C5H7ClN2O2/c1-9-3-4-7-5(2-6)10-8-4/h2-3H2,1H3

Composition: C (36.94%), H (4.34%), Cl (21.81%), N (17.23%), O (19.68%)

Molar Mass: 162.57

Atom Count: 17

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	162.0196052
Formal Charge	0
FSP3	0.6
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VLXVPDOWMACDNZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.95
Topological Polar Surface Area	48.15
Polarizability	13.68
Ring Count	1
Rotatable Bond Count	3

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