4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole

C8H7N3OS — CID 42609102

IUPAC4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole
SMILESCSc1nccc(-c2cnoc2)n1
InChIInChI=1S/C8H7N3OS/c1-13-8-9-3-2-7(11-8)6-4-10-12-5-6/h2-5H,1H3
InChIKeyVXQCJTIAOFAILS-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.85
Rot. Bonds2

About 4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole

4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole (PubChem CID 42609102) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole
PubChem CID42609102
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole
SMILESCSc1nccc(-c2cnoc2)n1
InChIInChI=1S/C8H7N3OS/c1-13-8-9-3-2-7(11-8)6-4-10-12-5-6/h2-5H,1H3
InChIKeyVXQCJTIAOFAILS-UHFFFAOYSA-N
XLogP1.85
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole?
The IUPAC name of 4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole (CID 42609102) is 4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole.
What is the SMILES notation for 4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole?
The canonical SMILES for 4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole is CSc1nccc(-c2cnoc2)n1.
What is the InChIKey of 4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole?
The InChIKey is VXQCJTIAOFAILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c1-13-8-9-3-2-7(11-8)6-4-10-12-5-6/h2-5H,1H3.
What are the key properties of 4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole?
4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole has a molecular weight of 193.23 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole is sourced from PubChem (CID 42609102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).