2-ethoxy-5-methylsulfanyl-1,3-benzoxazole

C10H11NO2S — CID 130894860

IUPAC2-ethoxy-5-methylsulfanyl-1,3-benzoxazole
SMILESCCOc1nc2cc(SC)ccc2o1
InChIInChI=1S/C10H11NO2S/c1-3-12-10-11-8-6-7(14-2)4-5-9(8)13-10/h4-6H,3H2,1-2H3
InChIKeyKRVJQGFIIIMAKA-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.95
Rot. Bonds3

About 2-ethoxy-5-methylsulfanyl-1,3-benzoxazole

2-ethoxy-5-methylsulfanyl-1,3-benzoxazole (PubChem CID 130894860) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-ethoxy-5-methylsulfanyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-ethoxy-5-methylsulfanyl-1,3-benzoxazole
PubChem CID130894860
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name2-ethoxy-5-methylsulfanyl-1,3-benzoxazole
SMILESCCOc1nc2cc(SC)ccc2o1
InChIInChI=1S/C10H11NO2S/c1-3-12-10-11-8-6-7(14-2)4-5-9(8)13-10/h4-6H,3H2,1-2H3
InChIKeyKRVJQGFIIIMAKA-UHFFFAOYSA-N
XLogP2.95
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methylsulfanyl-1,3-benzoxazole?
The IUPAC name of 2-ethoxy-5-methylsulfanyl-1,3-benzoxazole (CID 130894860) is 2-ethoxy-5-methylsulfanyl-1,3-benzoxazole.
What is the SMILES notation for 2-ethoxy-5-methylsulfanyl-1,3-benzoxazole?
The canonical SMILES for 2-ethoxy-5-methylsulfanyl-1,3-benzoxazole is CCOc1nc2cc(SC)ccc2o1.
What is the InChIKey of 2-ethoxy-5-methylsulfanyl-1,3-benzoxazole?
The InChIKey is KRVJQGFIIIMAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-3-12-10-11-8-6-7(14-2)4-5-9(8)13-10/h4-6H,3H2,1-2H3.
What are the key properties of 2-ethoxy-5-methylsulfanyl-1,3-benzoxazole?
2-ethoxy-5-methylsulfanyl-1,3-benzoxazole has a molecular weight of 209.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methylsulfanyl-1,3-benzoxazole is sourced from PubChem (CID 130894860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).