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Chemical ID: 4923661
Chemical ID:
4923661
Name [?]:
4-isopropyl-2-[1-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole
SMILES [?]:
CC(C)C1COC(=N1)C(C)(C)C2=NC(CO2)C(C)C
InChi [?]:
InChI=1/C15H26N2O2/c1-9(2)11-7-18-13(16-11)15(5,6)14-17-12(8-19-14)10(3)4/h9-12H,7-8H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,18,19,10,11,5,15,2,17,4,14,7,12,9,8,13,6,16/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)(18,19)/rA:19cCCCCCOCNCCCCNCCOCCC/rB:s1;s2;s2;s4;s5;s6;s4d7;s7;s9;s9;s9;d12;s13;s14;s12s15;s14;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H26N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.34887 |
Area: | 475.175 |
Solvation: | -3.5305 |
Coulombic: | -28.7063 |
Bond Count [?]
All: | 20 |
Single: | 18 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 266.379 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.05 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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