2-ethylsulfanyl-1,3-oxazole

C5H7NOS — CID 21329736

IUPAC2-ethylsulfanyl-1,3-oxazole
SMILESCCSc1ncco1
InChIInChI=1S/C5H7NOS/c1-2-8-5-6-3-4-7-5/h3-4H,2H2,1H3
InChIKeyRBUAVAWCIPJZIP-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.79
Rot. Bonds2

About 2-ethylsulfanyl-1,3-oxazole

2-ethylsulfanyl-1,3-oxazole (PubChem CID 21329736) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is 2-ethylsulfanyl-1,3-oxazole.

Molecular Properties

Compound Name2-ethylsulfanyl-1,3-oxazole
PubChem CID21329736
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name2-ethylsulfanyl-1,3-oxazole
SMILESCCSc1ncco1
InChIInChI=1S/C5H7NOS/c1-2-8-5-6-3-4-7-5/h3-4H,2H2,1H3
InChIKeyRBUAVAWCIPJZIP-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1,3-oxazole?
The IUPAC name of 2-ethylsulfanyl-1,3-oxazole (CID 21329736) is 2-ethylsulfanyl-1,3-oxazole.
What is the SMILES notation for 2-ethylsulfanyl-1,3-oxazole?
The canonical SMILES for 2-ethylsulfanyl-1,3-oxazole is CCSc1ncco1.
What is the InChIKey of 2-ethylsulfanyl-1,3-oxazole?
The InChIKey is RBUAVAWCIPJZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c1-2-8-5-6-3-4-7-5/h3-4H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-1,3-oxazole?
2-ethylsulfanyl-1,3-oxazole has a molecular weight of 129.18 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1,3-oxazole is sourced from PubChem (CID 21329736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).