ethyl 2-methylsulfanyl-1,3-oxazole-4-carboxylate

C7H9NO3S — CID 89470239

IUPACethyl 2-methylsulfanyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(SC)n1
InChIInChI=1S/C7H9NO3S/c1-3-10-6(9)5-4-11-7(8-5)12-2/h4H,3H2,1-2H3
InChIKeyMIAOPCKKDPZCTH-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.57
Rot. Bonds3

About ethyl 2-methylsulfanyl-1,3-oxazole-4-carboxylate

ethyl 2-methylsulfanyl-1,3-oxazole-4-carboxylate (PubChem CID 89470239) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is ethyl 2-methylsulfanyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylsulfanyl-1,3-oxazole-4-carboxylate
PubChem CID89470239
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Nameethyl 2-methylsulfanyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(SC)n1
InChIInChI=1S/C7H9NO3S/c1-3-10-6(9)5-4-11-7(8-5)12-2/h4H,3H2,1-2H3
InChIKeyMIAOPCKKDPZCTH-UHFFFAOYSA-N
XLogP1.57
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylsulfanyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-methylsulfanyl-1,3-oxazole-4-carboxylate (CID 89470239) is ethyl 2-methylsulfanyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-methylsulfanyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-methylsulfanyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(SC)n1.
What is the InChIKey of ethyl 2-methylsulfanyl-1,3-oxazole-4-carboxylate?
The InChIKey is MIAOPCKKDPZCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-3-10-6(9)5-4-11-7(8-5)12-2/h4H,3H2,1-2H3.
What are the key properties of ethyl 2-methylsulfanyl-1,3-oxazole-4-carboxylate?
ethyl 2-methylsulfanyl-1,3-oxazole-4-carboxylate has a molecular weight of 187.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylsulfanyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 89470239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).