3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2-oxazole

C9H9N3OS — CID 162383929

IUPAC3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2-oxazole
SMILESCSc1ncc(-c2cc(C)no2)cn1
InChIInChI=1S/C9H9N3OS/c1-6-3-8(13-12-6)7-4-10-9(14-2)11-5-7/h3-5H,1-2H3
InChIKeyXBIXVWZZBNIRGK-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.16
Rot. Bonds2

About 3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2-oxazole

3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2-oxazole (PubChem CID 162383929) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2-oxazole
PubChem CID162383929
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2-oxazole
SMILESCSc1ncc(-c2cc(C)no2)cn1
InChIInChI=1S/C9H9N3OS/c1-6-3-8(13-12-6)7-4-10-9(14-2)11-5-7/h3-5H,1-2H3
InChIKeyXBIXVWZZBNIRGK-UHFFFAOYSA-N
XLogP2.16
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2-oxazole (CID 162383929) is 3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2-oxazole is CSc1ncc(-c2cc(C)no2)cn1.
What is the InChIKey of 3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2-oxazole?
The InChIKey is XBIXVWZZBNIRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-6-3-8(13-12-6)7-4-10-9(14-2)11-5-7/h3-5H,1-2H3.
What are the key properties of 3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2-oxazole?
3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2-oxazole has a molecular weight of 207.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2-oxazole is sourced from PubChem (CID 162383929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).