Chemical ID: 7255322

CCC(C)(C)NC(=O)c1c(onc1c2ccccc2)C
Chemical ID:
7255322
Name [?]:
N-(1,1-dimethylpropyl)-5-methyl-3-phenyl-isoxazole-4-carboxamide
SMILES [?]:
CCC(C)(C)NC(=O)c1c(onc1c2ccccc2)C
InChi [?]:
InChI=1/C16H20N2O2/c1-5-16(3,4)17-15(19)13-11(2)20-18-14(13)12-9-7-6-8-10-12/h6-10H,5H2,1-4H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,20,4,5,2,17,16,18,15,19,10,14,9,13,7,3,6,12,8,11/E:(3,4)(7,8)(9,10)/rA:20nCCCCCNCOCCONCCCCCCCC/rB:s1;s2;s3;s3;s3;s6;d7;s7;d9;s10;s11;s9d12;s13;s14;d15;s16;d17;d14s18;s10;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O2
All Atoms:40
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.37042
Area:462.553
Solvation:-2.1934
Coulombic:-27.0024
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:272.342
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.82
LogP (Chemaxon):2.85

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