Chemical ID: 4253056

Cc1ccc(cc1)c2nc(on2)CNC(C)C
Chemical ID:
4253056
Name [?]:
N-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)CNC(C)C
InChi [?]:
InChI=1/C13H17N3O/c1-9(2)14-8-12-15-13(16-17-12)11-6-4-10(3)5-7-11/h4-7,9,14H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:16,17,1,3,7,4,6,13,15,2,5,10,8,14,9,12,11/E:(1,2)(4,5)(6,7)/rA:17nCCCCCCCCNCONCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17N3O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.38682
Area:442.74
Solvation:-1.68168
Coulombic:-22.2285
Bond Count [?]
All:18
Single:13
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:231.294
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.99
LogP (Chemaxon):2.79

Name Annotations

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Descriptor Annotations

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