ChemDB: Chemical Search
Download
Chemical ID: 7255322
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|