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Chemical ID: 7406472
Chemical ID:
7406472
Name [?]:
2-methoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILES [?]:
COCC(=O)NCc1nc(no1)c2ccccc2
InChi [?]:
InChI=1/C12H13N3O3/c1-17-8-10(16)13-7-11-14-12(15-18-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,16)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,7,3,13,4,8,10,6,9,11,5,2,12/E:(3,4)(5,6)/rA:18nCOCCONCCNCNOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13N3O3 |
All Atoms: | 31 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.77148 |
Area: | 455.25 |
Solvation: | -4.60975 |
Coulombic: | -41.1594 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 247.25 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.04 |
LogP (Chemaxon): | 0.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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