1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone

C14H15NO3S — CID 103520180

IUPAC1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
SMILESCCOc1ccc(C(=O)CSc2nc(C)co2)cc1
InChIInChI=1S/C14H15NO3S/c1-3-17-12-6-4-11(5-7-12)13(16)9-19-14-15-10(2)8-18-14/h4-8H,3,9H2,1-2H3
InChIKeyWGFQFUYWOAZGIS-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.36
Rot. Bonds6

About 1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone

1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone (PubChem CID 103520180) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
PubChem CID103520180
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
SMILESCCOc1ccc(C(=O)CSc2nc(C)co2)cc1
InChIInChI=1S/C14H15NO3S/c1-3-17-12-6-4-11(5-7-12)13(16)9-19-14-15-10(2)8-18-14/h4-8H,3,9H2,1-2H3
InChIKeyWGFQFUYWOAZGIS-UHFFFAOYSA-N
XLogP3.36
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone (CID 103520180) is 1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone is CCOc1ccc(C(=O)CSc2nc(C)co2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The InChIKey is WGFQFUYWOAZGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-17-12-6-4-11(5-7-12)13(16)9-19-14-15-10(2)8-18-14/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone has a molecular weight of 277.34 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 103520180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).