ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate

C12H13NO3S — CID 104842657

IUPACethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2cccs2)nc1CC
InChIInChI=1S/C12H13NO3S/c1-3-8-10(12(14)15-4-2)16-11(13-8)9-6-5-7-17-9/h5-7H,3-4H2,1-2H3
InChIKeyNCPSFPJUMZEDQI-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.14
Rot. Bonds4

About ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate

ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate (PubChem CID 104842657) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate
PubChem CID104842657
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Nameethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2cccs2)nc1CC
InChIInChI=1S/C12H13NO3S/c1-3-8-10(12(14)15-4-2)16-11(13-8)9-6-5-7-17-9/h5-7H,3-4H2,1-2H3
InChIKeyNCPSFPJUMZEDQI-UHFFFAOYSA-N
XLogP3.14
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate
CID 104842680
ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate
CID 114823849
ethyl 5-[(Z)-2-phenylethenyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxylate
CID 89038665
ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 114370765
4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 158381591
ethyl 4-ethyl-2-(3-nitrophenyl)-1,3-oxazole-5-carboxylate
CID 104842760
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate
CID 55517849
ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate
CID 104842583
ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate
CID 70858476
ethyl 3-amino-4-methyl-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate
CID 91872812
ethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 104842772
ethyl 4-(furan-2-yl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 55512868

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate (CID 104842657) is ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(-c2cccs2)nc1CC.
What is the InChIKey of ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate?
The InChIKey is NCPSFPJUMZEDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-3-8-10(12(14)15-4-2)16-11(13-8)9-6-5-7-17-9/h5-7H,3-4H2,1-2H3.
What are the key properties of ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate?
ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate has a molecular weight of 251.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 104842657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).