5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole

C15H10N4OS — CID 28736924

IUPAC5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1cc(-c2nc(Cc3ccsc3)no2)c2nccnc2c1
InChIInChI=1S/C15H10N4OS/c1-2-11(14-12(3-1)16-5-6-17-14)15-18-13(19-20-15)8-10-4-7-21-9-10/h1-7,9H,8H2
InChIKeyDODPOAGDZNCWHD-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.33
Rot. Bonds3

About 5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole

5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 28736924) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID28736924
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1cc(-c2nc(Cc3ccsc3)no2)c2nccnc2c1
InChIInChI=1S/C15H10N4OS/c1-2-11(14-12(3-1)16-5-6-17-14)15-18-13(19-20-15)8-10-4-7-21-9-10/h1-7,9H,8H2
InChIKeyDODPOAGDZNCWHD-UHFFFAOYSA-N
XLogP3.33
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104615619
5-(1H-indazol-4-yl)-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
CID 166213177
5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
CID 10014918
3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
CID 39819329
2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 104615612
3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole
CID 39781740
1-[3-(thiophen-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 130762807
4-[[5-(2-amino-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 81498942
3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
CID 104615591
2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-6-fluoroaniline
CID 81498941
5-(1H-indazol-4-yl)-3-(1,3-thiazol-4-ylmethyl)-1,2,4-oxadiazole
CID 166213303
4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136903992

Frequently Asked Questions

What is the IUPAC name of 5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole (CID 28736924) is 5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole is c1cc(-c2nc(Cc3ccsc3)no2)c2nccnc2c1.
What is the InChIKey of 5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is DODPOAGDZNCWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS/c1-2-11(14-12(3-1)16-5-6-17-14)15-18-13(19-20-15)8-10-4-7-21-9-10/h1-7,9H,8H2.
What are the key properties of 5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole?
5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 294.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 28736924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).