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

C14H17NO3S — CID 59345184

IUPACethyl 5-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccs2)oc1CC(C)C
InChIInChI=1S/C14H17NO3S/c1-4-17-14(16)12-10(8-9(2)3)18-13(15-12)11-6-5-7-19-11/h5-7,9H,4,8H2,1-3H3
InChIKeyWDXPEEXGZWKKBH-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.78
Rot. Bonds5

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

ethyl 5-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylate (PubChem CID 59345184) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl 5-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylate
PubChem CID59345184
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Nameethyl 5-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccs2)oc1CC(C)C
InChIInChI=1S/C14H17NO3S/c1-4-17-14(16)12-10(8-9(2)3)18-13(15-12)11-6-5-7-19-11/h5-7,9H,4,8H2,1-3H3
InChIKeyWDXPEEXGZWKKBH-UHFFFAOYSA-N
XLogP3.78
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylate (CID 59345184) is ethyl 5-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2cccs2)oc1CC(C)C.
What is the InChIKey of ethyl 5-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylate?
The InChIKey is WDXPEEXGZWKKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-4-17-14(16)12-10(8-9(2)3)18-13(15-12)11-6-5-7-19-11/h5-7,9H,4,8H2,1-3H3.
What are the key properties of ethyl 5-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylate?
ethyl 5-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylate has a molecular weight of 279.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 59345184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).