Chemical ID: 4708978

c1cnn(c1)c2ccc(cc2)c3cnco3
Chemical ID:
4708978
Name [?]:
5-(4-pyrazol-1-ylphenyl)oxazole
SMILES [?]:
c1cnn(c1)c2ccc(cc2)c3cnco3
InChi [?]:
InChI=1/C12H9N3O/c1-6-14-15(7-1)11-4-2-10(3-5-11)12-8-13-9-16-12/h1-9H
InChi Info:
AuxInfo=1/0/N:1,8,10,7,11,2,5,13,15,9,6,12,14,3,4,16/E:(2,3)(4,5)/rA:16nCCNNCCCCCCCCCNCO/rB:s1;d2;s3;d1s4;s4;s6;d7;s8;d9;d6s10;s9;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9N3O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.62657
Area:389.582
Solvation:-3.11297
Coulombic:-16.2395
Bond Count [?]
All:18
Single:11
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:211.219
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.95
LogP (Chemaxon):1.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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