ethyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylate

C13H15NO4S — CID 75442354

IUPACethyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CSc2nc(C)c(C)o2)o1
InChIInChI=1S/C13H15NO4S/c1-4-16-12(15)11-6-5-10(18-11)7-19-13-14-8(2)9(3)17-13/h5-6H,4,7H2,1-3H3
InChIKeyRBDXUBSJAUKJDP-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.35
Rot. Bonds5

About ethyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylate

ethyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylate (PubChem CID 75442354) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is ethyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylate
PubChem CID75442354
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Nameethyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CSc2nc(C)c(C)o2)o1
InChIInChI=1S/C13H15NO4S/c1-4-16-12(15)11-6-5-10(18-11)7-19-13-14-8(2)9(3)17-13/h5-6H,4,7H2,1-3H3
InChIKeyRBDXUBSJAUKJDP-UHFFFAOYSA-N
XLogP3.35
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylate (CID 75442354) is ethyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylate is CCOC(=O)c1ccc(CSc2nc(C)c(C)o2)o1.
What is the InChIKey of ethyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylate?
The InChIKey is RBDXUBSJAUKJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c1-4-16-12(15)11-6-5-10(18-11)7-19-13-14-8(2)9(3)17-13/h5-6H,4,7H2,1-3H3.
What are the key properties of ethyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylate?
ethyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylate has a molecular weight of 281.33 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylate is sourced from PubChem (CID 75442354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).