Chemical ID: 4774692

CC(C)(C)C1COC(=N1)C(C)(C)C2=NC(CO2)C(C)(C)C
Chemical ID:
4774692
Name [?]:
2-[1-methyl-1-(4-tert-butyl-4,5-dihydrooxazol-2-yl)-ethyl]-4-tert-butyl-4,5-dihydrooxazole
SMILES [?]:
CC(C)(C)C1COC(=N1)C(C)(C)C2=NC(CO2)C(C)(C)C
InChi [?]:
InChI=1/C17H30N2O2/c1-15(2,3)11-9-20-13(18-11)17(7,8)14-19-12(10-21-14)16(4,5)6/h11-12H,9-10H2,1-8H3
InChi Info:
AuxInfo=1/0/N:1,3,4,19,20,21,11,12,6,16,5,15,8,13,2,18,10,9,14,7,17/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(18,19)(20,21)/rA:21cCCCCCCOCNCCCCNCCOCCCC/rB:s1;s2;s2;s2;s5;s6;s7;s5d8;s8;s10;s10;s10;d13;s14;s15;s13s16;s15;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H30N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:9.02217
Area:499.559
Solvation:-3.4668
Coulombic:-29.3406
Bond Count [?]
All:22
Single:20
Double:2
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:294.432
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.84
LogP (Chemaxon):4.84

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