2-[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanol

C25H25N5O2 — CID 162012937

IUPAC2-[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanol
SMILESC=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4cccc(CCO)c4)o3)n2)cc1)N(C)C
InChIInChI=1S/C25H25N5O2/c1-16-23(25-29-28-24(32-25)21-7-5-6-18(14-21)12-13-31)27-22(15-26-16)20-10-8-19(9-11-20)17(2)30(3)4/h5-11,14-15,31H,2,12-13H2,1,3-4H3
InChIKeyDMXNOJKUGXCDCW-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.24
Rot. Bonds7

About 2-[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanol

2-[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanol (PubChem CID 162012937) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanol
PubChem CID162012937
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name2-[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanol
SMILESC=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4cccc(CCO)c4)o3)n2)cc1)N(C)C
InChIInChI=1S/C25H25N5O2/c1-16-23(25-29-28-24(32-25)21-7-5-6-18(14-21)12-13-31)27-22(15-26-16)20-10-8-19(9-11-20)17(2)30(3)4/h5-11,14-15,31H,2,12-13H2,1,3-4H3
InChIKeyDMXNOJKUGXCDCW-UHFFFAOYSA-N
XLogP4.24
TPSA88.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
CID 158551825
N,N-dimethyl-4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide;molecular hydrogen
CID 158225404
[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanol
CID 159186622
N,N-dimethyl-1-[4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine
CID 158646590
4-[6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide
CID 160610706
[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen
CID 161228678
1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen
CID 161223720
4-[6-[5-[2-(3-hydroxypropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
CID 159987448
2-[6-(4-ethylsulfonylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 152905324
4-[5-amino-6-[5-[3-(1-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59472074
[3-[5-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen
CID 162264441
N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]acetamide;molecular hydrogen
CID 161451115

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanol?
The IUPAC name of 2-[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanol (CID 162012937) is 2-[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanol.
What is the SMILES notation for 2-[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanol?
The canonical SMILES for 2-[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanol is C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4cccc(CCO)c4)o3)n2)cc1)N(C)C.
What is the InChIKey of 2-[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanol?
The InChIKey is DMXNOJKUGXCDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-16-23(25-29-28-24(32-25)21-7-5-6-18(14-21)12-13-31)27-22(15-26-16)20-10-8-19(9-11-20)17(2)30(3)4/h5-11,14-15,31H,2,12-13H2,1,3-4H3.
What are the key properties of 2-[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanol?
2-[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanol has a molecular weight of 427.51 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanol is sourced from PubChem (CID 162012937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).