4-methyl-2-methylsulfanyl-1,3-oxazole;pyridine

C10H12N2OS — CID 66872853

IUPAC4-methyl-2-methylsulfanyl-1,3-oxazole;pyridine
SMILESCSc1nc(C)co1.c1ccncc1
InChIInChI=1S/C5H7NOS.C5H5N/c1-4-3-7-5(6-4)8-2;1-2-4-6-5-3-1/h3H,1-2H3;1-5H
InChIKeyNWBHACULKUJXQW-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.79
Rot. Bonds1

About 4-methyl-2-methylsulfanyl-1,3-oxazole;pyridine

4-methyl-2-methylsulfanyl-1,3-oxazole;pyridine (PubChem CID 66872853) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanyl-1,3-oxazole;pyridine.

Molecular Properties

Compound Name4-methyl-2-methylsulfanyl-1,3-oxazole;pyridine
PubChem CID66872853
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name4-methyl-2-methylsulfanyl-1,3-oxazole;pyridine
SMILESCSc1nc(C)co1.c1ccncc1
InChIInChI=1S/C5H7NOS.C5H5N/c1-4-3-7-5(6-4)8-2;1-2-4-6-5-3-1/h3H,1-2H3;1-5H
InChIKeyNWBHACULKUJXQW-UHFFFAOYSA-N
XLogP2.79
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfanyl-1,3-oxazole;pyridine?
The IUPAC name of 4-methyl-2-methylsulfanyl-1,3-oxazole;pyridine (CID 66872853) is 4-methyl-2-methylsulfanyl-1,3-oxazole;pyridine.
What is the SMILES notation for 4-methyl-2-methylsulfanyl-1,3-oxazole;pyridine?
The canonical SMILES for 4-methyl-2-methylsulfanyl-1,3-oxazole;pyridine is CSc1nc(C)co1.c1ccncc1.
What is the InChIKey of 4-methyl-2-methylsulfanyl-1,3-oxazole;pyridine?
The InChIKey is NWBHACULKUJXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS.C5H5N/c1-4-3-7-5(6-4)8-2;1-2-4-6-5-3-1/h3H,1-2H3;1-5H.
What are the key properties of 4-methyl-2-methylsulfanyl-1,3-oxazole;pyridine?
4-methyl-2-methylsulfanyl-1,3-oxazole;pyridine has a molecular weight of 208.29 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanyl-1,3-oxazole;pyridine is sourced from PubChem (CID 66872853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).