Chemical ID: 7244611

c1ccc2c(c1)nc(o2)C3CCCNC3
Chemical ID:
7244611
Name [?]:
2-(3-piperidyl)benzooxazole
SMILES [?]:
c1ccc2c(c1)nc(o2)C3CCCNC3
InChi [?]:
InChI=1/C12H14N2O/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,12,11,6,3,13,15,10,5,4,8,14,7,9/rA:15cCCCCCCNCOCCCCNC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N2O
All Atoms:29
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.72821
Area:370.504
Solvation:-1.53438
Coulombic:-23.5359
Bond Count [?]
All:17
Single:13
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:202.252
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.26
LogP (Chemaxon):2.17

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