4,5-dimethyl-2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole

C10H11N3OS — CID 75494315

IUPAC4,5-dimethyl-2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole
SMILESCc1nccc(Sc2nc(C)c(C)o2)n1
InChIInChI=1S/C10H11N3OS/c1-6-7(2)14-10(12-6)15-9-4-5-11-8(3)13-9/h4-5H,1-3H3
InChIKeyPALVZOAKOPTFTO-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.54
Rot. Bonds2

About 4,5-dimethyl-2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole

4,5-dimethyl-2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole (PubChem CID 75494315) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole
PubChem CID75494315
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name4,5-dimethyl-2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole
SMILESCc1nccc(Sc2nc(C)c(C)o2)n1
InChIInChI=1S/C10H11N3OS/c1-6-7(2)14-10(12-6)15-9-4-5-11-8(3)13-9/h4-5H,1-3H3
InChIKeyPALVZOAKOPTFTO-UHFFFAOYSA-N
XLogP2.54
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole (CID 75494315) is 4,5-dimethyl-2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole is Cc1nccc(Sc2nc(C)c(C)o2)n1.
What is the InChIKey of 4,5-dimethyl-2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole?
The InChIKey is PALVZOAKOPTFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-6-7(2)14-10(12-6)15-9-4-5-11-8(3)13-9/h4-5H,1-3H3.
What are the key properties of 4,5-dimethyl-2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole?
4,5-dimethyl-2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole has a molecular weight of 221.28 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole is sourced from PubChem (CID 75494315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).