3-(methylsulfanylmethyl)-1,2-oxazole

C5H7NOS — CID 126747103

IUPAC3-(methylsulfanylmethyl)-1,2-oxazole
SMILESCSCc1ccon1
InChIInChI=1S/C5H7NOS/c1-8-4-5-2-3-7-6-5/h2-3H,4H2,1H3
InChIKeyRBWYATZBPBMDIL-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.54
Rot. Bonds2

About 3-(methylsulfanylmethyl)-1,2-oxazole

3-(methylsulfanylmethyl)-1,2-oxazole (PubChem CID 126747103) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-1,2-oxazole
PubChem CID126747103
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name3-(methylsulfanylmethyl)-1,2-oxazole
SMILESCSCc1ccon1
InChIInChI=1S/C5H7NOS/c1-8-4-5-2-3-7-6-5/h2-3H,4H2,1H3
InChIKeyRBWYATZBPBMDIL-UHFFFAOYSA-N
XLogP1.54
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-1,2-oxazole?
The IUPAC name of 3-(methylsulfanylmethyl)-1,2-oxazole (CID 126747103) is 3-(methylsulfanylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-(methylsulfanylmethyl)-1,2-oxazole?
The canonical SMILES for 3-(methylsulfanylmethyl)-1,2-oxazole is CSCc1ccon1.
What is the InChIKey of 3-(methylsulfanylmethyl)-1,2-oxazole?
The InChIKey is RBWYATZBPBMDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c1-8-4-5-2-3-7-6-5/h2-3H,4H2,1H3.
What are the key properties of 3-(methylsulfanylmethyl)-1,2-oxazole?
3-(methylsulfanylmethyl)-1,2-oxazole has a molecular weight of 129.18 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-1,2-oxazole is sourced from PubChem (CID 126747103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).