Chemical ID: 7406472

COCC(=O)NCc1nc(no1)c2ccccc2
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

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Descriptor Annotations

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