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

C13H15NO3S — CID 146162807

IUPACethyl 5-propyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate
SMILESCCCc1oc(-c2cccs2)nc1C(=O)OCC
InChIInChI=1S/C13H15NO3S/c1-3-6-9-11(13(15)16-4-2)14-12(17-9)10-7-5-8-18-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyNNLLHRFRLUQUDA-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.53
Rot. Bonds5

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

ethyl 5-propyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate (PubChem CID 146162807) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 5-propyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-propyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate
PubChem CID146162807
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Nameethyl 5-propyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate
SMILESCCCc1oc(-c2cccs2)nc1C(=O)OCC
InChIInChI=1S/C13H15NO3S/c1-3-6-9-11(13(15)16-4-2)14-12(17-9)10-7-5-8-18-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyNNLLHRFRLUQUDA-UHFFFAOYSA-N
XLogP3.53
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}tetrahydrofuran-3-amine
CID 16187472
N-methyl-N-{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}tetrahydro-2H-pyran-4-amine
CID 16191428
Ethyl 2-[2-phenyl-5-(3-thienyl)-4-oxazolyl]acetate
CID 13105436
n-Butyl 2-[2-phenyl-5-(3-thienyl)-4-oxazolyl]acetate
CID 13105445
n-Pentyl 2-[2-phenyl-5-(3-thienyl)-4-oxazolyl]acetate
CID 13105446
Ethyl 2-[2-phenyl-5-(2-thienyl)-4-oxazolyl]acetate
CID 13105455
Methyl 2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazole-4-carboxylate
CID 13583381
[2-(4-Fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]methanol
CID 13583382
2-(5-Methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl)acetic acid
CID 16227840
5-Methyl-2-(thiophen-2-yl)oxazole-4-carbaldehyde
CID 28063458
4,5-Dimethyl-2-thien-2-yl-1,3-oxazole 3-oxide
CID 6602871
[2-Phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-thiophen-2-ylmethanone
CID 134840143

Frequently Asked Questions

What is the IUPAC name of ethyl 5-propyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-propyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate (CID 146162807) is ethyl 5-propyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-propyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-propyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate is CCCc1oc(-c2cccs2)nc1C(=O)OCC.
What is the InChIKey of ethyl 5-propyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate?
The InChIKey is NNLLHRFRLUQUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-3-6-9-11(13(15)16-4-2)14-12(17-9)10-7-5-8-18-10/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of ethyl 5-propyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate?
ethyl 5-propyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-propyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 146162807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).