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

C11H8N4OS — CID 99130250

IUPAC5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCc1ncncc1-c1nc(-c2cccs2)no1
InChIInChI=1S/C11H8N4OS/c1-7-8(5-12-6-13-7)11-14-10(15-16-11)9-3-2-4-17-9/h2-6H,1H3
InChIKeyAVSWKYNBNVUQAJ-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.56
Rot. Bonds2

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

5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 99130250) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID99130250
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC Name5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCc1ncncc1-c1nc(-c2cccs2)no1
InChIInChI=1S/C11H8N4OS/c1-7-8(5-12-6-13-7)11-14-10(15-16-11)9-3-2-4-17-9/h2-6H,1H3
InChIKeyAVSWKYNBNVUQAJ-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

3-(4-methylphenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 99962981
3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 99963017
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 124759838
3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136967849
5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718742
6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 71876923
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698799
2-fluoro-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39042306
5-(6-ethylsulfanyl-3-pyridinyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 167949067
5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
CID 107811588
3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one
CID 94069171

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole (CID 99130250) is 5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole is Cc1ncncc1-c1nc(-c2cccs2)no1.
What is the InChIKey of 5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is AVSWKYNBNVUQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c1-7-8(5-12-6-13-7)11-14-10(15-16-11)9-3-2-4-17-9/h2-6H,1H3.
What are the key properties of 5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
5-(4-methylpyrimidin-5-yl)-3-thiophen-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 5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 99130250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).