General Information of the Compound
Compound ID
CP0042454
Compound Name
(Z)-1-(oxazol-2-yl)octadec-9-en-1-one
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Synonyms
(9Z)-1-(2-Oxazolyl)-9-octadecene-1-one
(Z)-1-(oxazol-2-yl)octadec-9-en-1-one
(Z)-1-Oxazol-2-yl-octadec-9-en-1-one
1-(oxazol-2-yl)octadec-9-en-1-one
1-Oxazol-2-yl-nonadec-10-en-2-one
AKOS030561890
BDBM50100864
CHEMBL39412
SCHEMBL13764125
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Structure
Formula
C21H35NO2
Molecular Weight
333.516
Canonical SMILES
CCCCCCCC\C=C/CCCCCCCC(=O)c1ncco1
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InChI
InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-22-18-19-24-21/h9-10,18-19H,2-8,11-17H2,1H3/b10-9-
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InChIKey
WWYUNXGFLPTVRR-KTKRTIGZSA-N
Physicochemical Property
logP
6.8948
Rotatable Bonds
16
Heavy Atom Count
24
Polar Areas
43.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
24

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 44285344
ChEMBL ID
CHEMBL39412
Clinical Information about the Compound
Drug 1 ( 1-(oxazol-2-yl)octadec-9-en-1-one )
Drug Name 1-(oxazol-2-yl)octadec-9-en-1-one