Chemical ID: 5282794

Cc1ccc(c(c1)C)c2nc3cc(ccc3o2)N
Chemical ID:
5282794
Name [?]:
2-(2,4-dimethylphenyl)benzooxazol-5-amine
SMILES [?]:
Cc1ccc(c(c1)C)c2nc3cc(ccc3o2)N
InChi [?]:
InChI=1/C15H14N2O/c1-9-3-5-12(10(2)7-9)15-17-13-8-11(16)4-6-14(13)18-15/h3-8H,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,3,14,4,15,7,12,2,6,13,5,11,16,9,18,10,17/rA:18nCCCCCCCCCNCCCCCCON/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s13;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.04292
Area:423.071
Solvation:-1.53386
Coulombic:-32.3411
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

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Descriptor Annotations

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