Chemical ID: 4687211

CC1(COC(=N1)C=Cc2ccccc2)C
Chemical ID:
4687211
Name [?]:
4,4-dimethyl-2-styryl-5H-oxazole
SMILES [?]:
CC1(COC(=N1)C=Cc2ccccc2)C
InChi [?]:
InChI=1/C13H15NO/c1-13(2)10-15-12(14-13)9-8-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,12,11,13,10,14,8,7,3,9,5,2,6,4/E:(1,2)(4,5)(6,7)/rA:15nCCCOCNCCCCCCCCC/rB:s1;s2;s3;s4;s2d5;s5;w7;s8;s9;d10;s11;d12;d9s13;s2;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.16888
Area:370.727
Solvation:-2.0993
Coulombic:-15.9882
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:201.264
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.86
LogP (Chemaxon):2.82

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Descriptor Annotations

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