5-ethyl-2-(methylsulfanylmethyl)-1,3-oxazole

C7H11NOS — CID 59962031

IUPAC5-ethyl-2-(methylsulfanylmethyl)-1,3-oxazole
SMILESCCc1cnc(CSC)o1
InChIInChI=1S/C7H11NOS/c1-3-6-4-8-7(9-6)5-10-2/h4H,3,5H2,1-2H3
InChIKeyQQBJIDAPTXVPRG-UHFFFAOYSA-N
MW157.24 g/mol
LogP2.10
Rot. Bonds3

About 5-ethyl-2-(methylsulfanylmethyl)-1,3-oxazole

5-ethyl-2-(methylsulfanylmethyl)-1,3-oxazole (PubChem CID 59962031) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 5-ethyl-2-(methylsulfanylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-2-(methylsulfanylmethyl)-1,3-oxazole
PubChem CID59962031
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name5-ethyl-2-(methylsulfanylmethyl)-1,3-oxazole
SMILESCCc1cnc(CSC)o1
InChIInChI=1S/C7H11NOS/c1-3-6-4-8-7(9-6)5-10-2/h4H,3,5H2,1-2H3
InChIKeyQQBJIDAPTXVPRG-UHFFFAOYSA-N
XLogP2.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(methylsulfanylmethyl)-1,3-oxazole?
The IUPAC name of 5-ethyl-2-(methylsulfanylmethyl)-1,3-oxazole (CID 59962031) is 5-ethyl-2-(methylsulfanylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-ethyl-2-(methylsulfanylmethyl)-1,3-oxazole?
The canonical SMILES for 5-ethyl-2-(methylsulfanylmethyl)-1,3-oxazole is CCc1cnc(CSC)o1.
What is the InChIKey of 5-ethyl-2-(methylsulfanylmethyl)-1,3-oxazole?
The InChIKey is QQBJIDAPTXVPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-3-6-4-8-7(9-6)5-10-2/h4H,3,5H2,1-2H3.
What are the key properties of 5-ethyl-2-(methylsulfanylmethyl)-1,3-oxazole?
5-ethyl-2-(methylsulfanylmethyl)-1,3-oxazole has a molecular weight of 157.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(methylsulfanylmethyl)-1,3-oxazole is sourced from PubChem (CID 59962031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).