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N-[2-({4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl}formamido)ethyl]acetamide

N-[2-({4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl}formamido)ethyl]acetamide

CAS: 1119450-85-9

Formula: C14H15ClN4O3

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

IUPAC: N-[2-({4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl}formamido)ethyl]acetamide

InChI: InChI=1S/C14H15ClN4O3/c1-9(20)16-6-7-17-14(21)11-4-2-10(3-5-11)13-18-12(8-15)22-19-13/h2-5H,6-8H2,1H3,(H,16,20)(H,17,21)

Composition: C (52.10%), H (4.68%), Cl (10.98%), N (17.36%), O (14.87%)

Molar Mass: 322.75

Atom Count: 37

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 322.0832681
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey IQQAHVFRECYKDL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.65
Topological Polar Surface Area 97.12
Polarizability 30.89
Ring Count 2
Rotatable Bond Count 6

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