ethyl 6-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]pyridine-3-carboxylate

C14H16N2O3S — CID 71995615

IUPACethyl 6-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(SCc2ncc(CC)o2)nc1
InChIInChI=1S/C14H16N2O3S/c1-3-11-8-15-12(19-11)9-20-13-6-5-10(7-16-13)14(17)18-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyURGSVSQLVZCRMG-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.10
Rot. Bonds6

About ethyl 6-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]pyridine-3-carboxylate

ethyl 6-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]pyridine-3-carboxylate (PubChem CID 71995615) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is ethyl 6-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]pyridine-3-carboxylate
PubChem CID71995615
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Nameethyl 6-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(SCc2ncc(CC)o2)nc1
InChIInChI=1S/C14H16N2O3S/c1-3-11-8-15-12(19-11)9-20-13-6-5-10(7-16-13)14(17)18-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyURGSVSQLVZCRMG-UHFFFAOYSA-N
XLogP3.10
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 66116248
ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate
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ethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate
CID 114075140
ethyl 6-cyclopentylsulfanylpyridine-3-carboxylate
CID 103613537
ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate
CID 62028773
ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate
CID 103613536
ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate
CID 103613543
ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 104918606
3-(5-ethyl-1,3-oxazol-2-yl)propanoic acid
CID 84653363
ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate
CID 103866910
2-[(4,5-dimethoxy-2-methylphenyl)sulfanylmethyl]-5-ethyl-1,3-oxazole
CID 71870832

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]pyridine-3-carboxylate (CID 71995615) is ethyl 6-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]pyridine-3-carboxylate is CCOC(=O)c1ccc(SCc2ncc(CC)o2)nc1.
What is the InChIKey of ethyl 6-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]pyridine-3-carboxylate?
The InChIKey is URGSVSQLVZCRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-11-8-15-12(19-11)9-20-13-6-5-10(7-16-13)14(17)18-4-2/h5-8H,3-4,9H2,1-2H3.
What are the key properties of ethyl 6-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]pyridine-3-carboxylate?
ethyl 6-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]pyridine-3-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]pyridine-3-carboxylate is sourced from PubChem (CID 71995615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).