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

C8H13NOS — CID 89324654

IUPAC5-ethyl-2-(ethylsulfanylmethyl)-1,3-oxazole
SMILESCCSCc1ncc(CC)o1
InChIInChI=1S/C8H13NOS/c1-3-7-5-9-8(10-7)6-11-4-2/h5H,3-4,6H2,1-2H3
InChIKeyHWYDQTAMYLXJPK-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.49
Rot. Bonds4

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

5-ethyl-2-(ethylsulfanylmethyl)-1,3-oxazole (PubChem CID 89324654) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 5-ethyl-2-(ethylsulfanylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-2-(ethylsulfanylmethyl)-1,3-oxazole
PubChem CID89324654
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name5-ethyl-2-(ethylsulfanylmethyl)-1,3-oxazole
SMILESCCSCc1ncc(CC)o1
InChIInChI=1S/C8H13NOS/c1-3-7-5-9-8(10-7)6-11-4-2/h5H,3-4,6H2,1-2H3
InChIKeyHWYDQTAMYLXJPK-UHFFFAOYSA-N
XLogP2.49
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(ethylsulfanylmethyl)-1,3-oxazole?
The IUPAC name of 5-ethyl-2-(ethylsulfanylmethyl)-1,3-oxazole (CID 89324654) is 5-ethyl-2-(ethylsulfanylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-ethyl-2-(ethylsulfanylmethyl)-1,3-oxazole?
The canonical SMILES for 5-ethyl-2-(ethylsulfanylmethyl)-1,3-oxazole is CCSCc1ncc(CC)o1.
What is the InChIKey of 5-ethyl-2-(ethylsulfanylmethyl)-1,3-oxazole?
The InChIKey is HWYDQTAMYLXJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-3-7-5-9-8(10-7)6-11-4-2/h5H,3-4,6H2,1-2H3.
What are the key properties of 5-ethyl-2-(ethylsulfanylmethyl)-1,3-oxazole?
5-ethyl-2-(ethylsulfanylmethyl)-1,3-oxazole has a molecular weight of 171.26 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(ethylsulfanylmethyl)-1,3-oxazole is sourced from PubChem (CID 89324654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).