5-deuterio-2-methylsulfanyl-1,3-oxazole

C4H5NOS — CID 10582774

IUPAC5-deuterio-2-methylsulfanyl-1,3-oxazole
SMILES[2H]c1cnc(SC)o1
InChIInChI=1S/C4H5NOS/c1-7-4-5-2-3-6-4/h2-3H,1H3/i3D
InChIKeyXVLXLLHKDRNMGK-WFVSFCRTSA-N
MW116.16 g/mol
LogP1.40
Rot. Bonds1

About 5-deuterio-2-methylsulfanyl-1,3-oxazole

5-deuterio-2-methylsulfanyl-1,3-oxazole (PubChem CID 10582774) has the molecular formula C4H5NOS and a molecular weight of 116.16 g/mol. Its IUPAC name is 5-deuterio-2-methylsulfanyl-1,3-oxazole.

Molecular Properties

Compound Name5-deuterio-2-methylsulfanyl-1,3-oxazole
PubChem CID10582774
Molecular FormulaC4H5NOS
Molecular Weight116.16 g/mol
Exact Mass116.02
IUPAC Name5-deuterio-2-methylsulfanyl-1,3-oxazole
SMILES[2H]c1cnc(SC)o1
InChIInChI=1S/C4H5NOS/c1-7-4-5-2-3-6-4/h2-3H,1H3/i3D
InChIKeyXVLXLLHKDRNMGK-WFVSFCRTSA-N
XLogP1.40
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-deuterio-2-methylsulfanyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-deuterio-2-methylsulfanyl-1,3-oxazole?
The IUPAC name of 5-deuterio-2-methylsulfanyl-1,3-oxazole (CID 10582774) is 5-deuterio-2-methylsulfanyl-1,3-oxazole.
What is the SMILES notation for 5-deuterio-2-methylsulfanyl-1,3-oxazole?
The canonical SMILES for 5-deuterio-2-methylsulfanyl-1,3-oxazole is [2H]c1cnc(SC)o1.
What is the InChIKey of 5-deuterio-2-methylsulfanyl-1,3-oxazole?
The InChIKey is XVLXLLHKDRNMGK-WFVSFCRTSA-N. The full InChI is InChI=1S/C4H5NOS/c1-7-4-5-2-3-6-4/h2-3H,1H3/i3D.
What are the key properties of 5-deuterio-2-methylsulfanyl-1,3-oxazole?
5-deuterio-2-methylsulfanyl-1,3-oxazole has a molecular weight of 116.16 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-2-methylsulfanyl-1,3-oxazole is sourced from PubChem (CID 10582774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).