Chemical ID: 4759801

CC(C)C1COC(=N1)c2cccc(n2)C3=NC(CO3)C(C)C
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue