Chemical ID: 7221435

CC(C)C1NC(=NO1)c2ccccc2
Chemical ID:
7221435
Name [?]:
5-isopropyl-3-phenyl-4,5-dihydro-1,2,4-oxadiazole
SMILES [?]:
CC(C)C1NC(=NO1)c2ccccc2
InChi [?]:
InChI=1/C11H14N2O/c1-8(2)11-12-10(13-14-11)9-6-4-3-5-7-9/h3-8,11H,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,12,11,13,10,14,2,9,6,4,5,7,8/E:(1,2)(4,5)(6,7)/rA:14cCCCCNCNOCCCCCC/rB:s1;s2;s2;s4;s5;d6;s4s7;s6;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14N2O
All Atoms:28
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.27935
Area:367.138
Solvation:-1.89909
Coulombic:-19.4717
Bond Count [?]
All:15
Single:11
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:190.242
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.57
LogP (Chemaxon):3.24

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Descriptor Annotations

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