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Chemical ID: 6474638
Chemical ID:
6474638
Name [?]:
2,6-bis(4-tert-butyl-4,5-dihydrooxazol-2-yl)pyridine
SMILES [?]:
CC(C)(C)C1COC(=N1)c2cccc(n2)C3=NC(CO3)C(C)(C)C
InChi [?]:
InChI=1/C19H27N3O2/c1-18(2,3)14-10-23-16(21-14)12-8-7-9-13(20-12)17-22-15(11-24-17)19(4,5)6/h7-9,14-15H,10-11H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,22,23,24,12,11,13,6,19,10,14,5,18,8,16,2,21,15,9,17,7,20/E:(1,2,3,4,5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(21,22)(23,24)/rA:24cCCCCCCOCNCCCCCNCNCCOCCCC/rB:s1;s2;s2;s2;s5;s6;s7;s5d8;s8;s10;d11;s12;d13;d10s14;s14;d16;s17;s18;s16s19;s18;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.699 |
Area: | 550.898 |
Solvation: | -4.07344 |
Coulombic: | -37.5285 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 329.437 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.97 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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