Chemical ID: 7245652

CC(C)CC(c1nc2ccccc2o1)N
Chemical ID:
7245652
Name [?]:
1-benzooxazol-2-yl-3-methyl-butan-1-amine
SMILES [?]:
CC(C)CC(c1nc2ccccc2o1)N
InChi [?]:
InChI=1/C12H16N2O/c1-8(2)7-9(13)12-14-10-5-3-4-6-11(10)15-12/h3-6,8-9H,7,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,11,9,12,4,2,5,8,13,6,15,7,14/E:(1,2)/rA:15cCCCCCCNCCCCCCON/rB:s1;s2;s2;s4;s5;d6;s7;s8;d9;s10;d11;d8s12;s6s13;s5;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O
All Atoms:31
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.29206
Area:392.324
Solvation:-1.51604
Coulombic:-28.2704
Bond Count [?]
All:16
Single:12
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:204.268
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.3
LogP (Chemaxon):2.84

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Descriptor Annotations

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