General Information of the Compound
Compound ID
CP0034751
Compound Name
(Z)-1-(5-(pyridin-2-yl)oxazol-2-yl)octadec-9-en-1-one
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Synonyms
(Z)-1-(5-Pyridin-2-yl-oxazol-2-yl)-octadec-9-en-1-one
1-(5-(pyridin-2-yl)oxazol-2-yl)octadec-9-en-1-one
1-(5-Pyridin-2-yl-oxazol-2-yl)-nonadec-10-en-2-one
2-Oleoyl-5-(2-pyridyl)oxazole
AKOS030561894
BDBM50157122
CHEMBL426230
SCHEMBL3193600
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Structure
Formula
C26H38N2O2
Molecular Weight
410.602
Canonical SMILES
CCCCCCCC\C=C/CCCCCCCC(=O)c1ncc(o1)-c1ccccn1
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InChI
InChI=1S/C26H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24(29)26-28-22-25(30-26)23-19-17-18-21-27-23/h9-10,17-19,21-22H,2-8,11-16,20H2,1H3/b10-9-
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InChIKey
MTEOAQVTLKPFRA-KTKRTIGZSA-N
Physicochemical Property
logP
7.9568
Rotatable Bonds
17
Heavy Atom Count
30
Polar Areas
55.99
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 11327355
SID: 16417410
ChEMBL ID
CHEMBL426230
Clinical Information about the Compound
Drug 1 ( 1-(5-(pyridin-2-yl)oxazol-2-yl)octadec-9-en-1-one )
Drug Name 1-(5-(pyridin-2-yl)oxazol-2-yl)octadec-9-en-1-one