3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole

C11H8N4OS — CID 46361414

IUPAC3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3cnccn3)n2)s1
InChIInChI=1S/C11H8N4OS/c1-7-2-3-9(17-7)10-14-11(16-15-10)8-6-12-4-5-13-8/h2-6H,1H3
InChIKeyCBFXBXXTLIMBFF-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.56
Rot. Bonds2

About 3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole

3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 46361414) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID46361414
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC Name3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3cnccn3)n2)s1
InChIInChI=1S/C11H8N4OS/c1-7-2-3-9(17-7)10-14-11(16-15-10)8-6-12-4-5-13-8/h2-6H,1H3
InChIKeyCBFXBXXTLIMBFF-UHFFFAOYSA-N
XLogP2.56
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126126
N,N-dimethyl-4-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)aniline
CID 53013602
3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 50789601
2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 164656797
N,N-dimethyl-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
CID 95857472
3-[4-fluoro-2-(trifluoromethyl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 100695116
3-pyrazin-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 132606149
3-(6-imidazol-1-yl-3-pyridinyl)-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
CID 53171763
3-piperidin-4-yl-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 55150898
N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 75466941
4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60836264
3-pyrazin-2-yl-5-quinolin-8-yl-1,2,4-oxadiazole
CID 97014533

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole (CID 46361414) is 3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole is Cc1ccc(-c2noc(-c3cnccn3)n2)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is CBFXBXXTLIMBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c1-7-2-3-9(17-7)10-14-11(16-15-10)8-6-12-4-5-13-8/h2-6H,1H3.
What are the key properties of 3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole?
3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 244.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 46361414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).