2-methyl-5-[(E)-1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole

C25H19N3O2S — CID 70169059

IUPAC2-methyl-5-[(E)-1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole
SMILESCc1nnc(/C(=C/c2cccs2)c2ccc(OCc3ccc4ccccc4n3)cc2)o1
InChIInChI=1S/C25H19N3O2S/c1-17-27-28-25(30-17)23(15-22-6-4-14-31-22)18-9-12-21(13-10-18)29-16-20-11-8-19-5-2-3-7-24(19)26-20/h2-15H,16H2,1H3/b23-15+
InChIKeyXNSDXYMCYYJILQ-HZHRSRAPSA-N
MW425.51 g/mol
LogP6.16
Rot. Bonds6

About 2-methyl-5-[(E)-1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole

2-methyl-5-[(E)-1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole (PubChem CID 70169059) has the molecular formula C25H19N3O2S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-methyl-5-[(E)-1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(E)-1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole
PubChem CID70169059
Molecular FormulaC25H19N3O2S
Molecular Weight425.51 g/mol
Exact Mass425.12
IUPAC Name2-methyl-5-[(E)-1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole
SMILESCc1nnc(/C(=C/c2cccs2)c2ccc(OCc3ccc4ccccc4n3)cc2)o1
InChIInChI=1S/C25H19N3O2S/c1-17-27-28-25(30-17)23(15-22-6-4-14-31-22)18-9-12-21(13-10-18)29-16-20-11-8-19-5-2-3-7-24(19)26-20/h2-15H,16H2,1H3/b23-15+
InChIKeyXNSDXYMCYYJILQ-HZHRSRAPSA-N
XLogP6.16
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[(E)-1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-3-ylethenyl]-1,3,4-oxadiazole
CID 67124525
2-[(Z)-1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-3-ylethenyl]-1,3,4-oxadiazole
CID 54591580
(E)-N-(2-cyanoethyl)-2-[4-(quinolin-2-ylmethoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 54590948
2-[2-(4-chlorophenyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-5-methyl-1,3,4-oxadiazole
CID 67124752
5-[2-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]-3H-1,3,4-oxadiazol-2-one
CID 67124721
N'-[4-(quinolin-2-ylmethoxy)phenyl]thiophene-2-carboximidamide
CID 18765745
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
CID 162335511
CID 162335511

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(E)-1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(E)-1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole (CID 70169059) is 2-methyl-5-[(E)-1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(E)-1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(E)-1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole is Cc1nnc(/C(=C/c2cccs2)c2ccc(OCc3ccc4ccccc4n3)cc2)o1.
What is the InChIKey of 2-methyl-5-[(E)-1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole?
The InChIKey is XNSDXYMCYYJILQ-HZHRSRAPSA-N. The full InChI is InChI=1S/C25H19N3O2S/c1-17-27-28-25(30-17)23(15-22-6-4-14-31-22)18-9-12-21(13-10-18)29-16-20-11-8-19-5-2-3-7-24(19)26-20/h2-15H,16H2,1H3/b23-15+.
What are the key properties of 2-methyl-5-[(E)-1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole?
2-methyl-5-[(E)-1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole has a molecular weight of 425.51 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(E)-1-[4-(quinolin-2-ylmethoxy)phenyl]-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 70169059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).