Chemical ID: 4259014

Cc1cc2c(cc1C)oc(n2)c3cccc(c3)N
Chemical ID:
4259014
Name [?]:
3-(5,6-dimethylbenzooxazol-2-yl)aniline
SMILES [?]:
Cc1cc2c(cc1C)oc(n2)c3cccc(c3)N
InChi [?]:
InChI=1/C15H14N2O/c1-9-6-13-14(7-10(9)2)18-15(17-13)11-4-3-5-12(16)8-11/h3-8H,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,14,13,15,3,6,17,2,7,12,16,4,5,10,18,11,9/rA:18nCCCCCCCCOCNCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s4d10;s10;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.18213
Area:426.766
Solvation:-1.48702
Coulombic:-32.5222
Bond Count [?]
All:20
Single:13
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:238.285
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.22
LogP (Chemaxon):4.17

Name Annotations

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Descriptor Annotations

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