ChemDB: Chemical Search
Download
Chemical ID: 4759801
Chemical ID:
4759801
Name [?]:
2,6-bis(4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine
SMILES [?]:
CC(C)C1COC(=N1)c2cccc(n2)C3=NC(CO3)C(C)C
InChi [?]:
InChI=1/C17H23N3O2/c1-10(2)14-8-21-16(19-14)12-6-5-7-13(18-12)17-20-15(9-22-17)11(3)4/h5-7,10-11,14-15H,8-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,21,22,11,10,12,5,18,2,20,9,13,4,17,7,15,14,8,16,6,19/E:(1,2,3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20)(21,22)/rA:22cCCCCCOCNCCCCCNCNCCOCCC/rB:s1;s2;s2;s4;s5;s6;s4d7;s7;s9;d10;s11;d12;d9s13;s13;d15;s16;s17;s15s18;s17;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H23N3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.98735 |
Area: | 524.558 |
Solvation: | -4.12661 |
Coulombic: | -36.8879 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 301.384 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.18 |
LogP (Chemaxon): | 3.48 |
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 |
---|