(5-tert-butyl-1,2-oxazol-3-yl)methyl 3-ethylthiophene-2-carboxylate

C15H19NO3S — CID 100723946

IUPAC(5-tert-butyl-1,2-oxazol-3-yl)methyl 3-ethylthiophene-2-carboxylate
SMILESCCc1ccsc1C(=O)OCc1cc(C(C)(C)C)on1
InChIInChI=1S/C15H19NO3S/c1-5-10-6-7-20-13(10)14(17)18-9-11-8-12(19-16-11)15(2,3)4/h6-8H,5,9H2,1-4H3
InChIKeyLHMHHMYDHNNDFH-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.95
Rot. Bonds4

About (5-tert-butyl-1,2-oxazol-3-yl)methyl 3-ethylthiophene-2-carboxylate

(5-tert-butyl-1,2-oxazol-3-yl)methyl 3-ethylthiophene-2-carboxylate (PubChem CID 100723946) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is (5-tert-butyl-1,2-oxazol-3-yl)methyl 3-ethylthiophene-2-carboxylate.

Molecular Properties

Compound Name(5-tert-butyl-1,2-oxazol-3-yl)methyl 3-ethylthiophene-2-carboxylate
PubChem CID100723946
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name(5-tert-butyl-1,2-oxazol-3-yl)methyl 3-ethylthiophene-2-carboxylate
SMILESCCc1ccsc1C(=O)OCc1cc(C(C)(C)C)on1
InChIInChI=1S/C15H19NO3S/c1-5-10-6-7-20-13(10)14(17)18-9-11-8-12(19-16-11)15(2,3)4/h6-8H,5,9H2,1-4H3
InChIKeyLHMHHMYDHNNDFH-UHFFFAOYSA-N
XLogP3.95
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2-oxazol-3-yl)methyl 3-ethylthiophene-2-carboxylate?
The IUPAC name of (5-tert-butyl-1,2-oxazol-3-yl)methyl 3-ethylthiophene-2-carboxylate (CID 100723946) is (5-tert-butyl-1,2-oxazol-3-yl)methyl 3-ethylthiophene-2-carboxylate.
What is the SMILES notation for (5-tert-butyl-1,2-oxazol-3-yl)methyl 3-ethylthiophene-2-carboxylate?
The canonical SMILES for (5-tert-butyl-1,2-oxazol-3-yl)methyl 3-ethylthiophene-2-carboxylate is CCc1ccsc1C(=O)OCc1cc(C(C)(C)C)on1.
What is the InChIKey of (5-tert-butyl-1,2-oxazol-3-yl)methyl 3-ethylthiophene-2-carboxylate?
The InChIKey is LHMHHMYDHNNDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-5-10-6-7-20-13(10)14(17)18-9-11-8-12(19-16-11)15(2,3)4/h6-8H,5,9H2,1-4H3.
What are the key properties of (5-tert-butyl-1,2-oxazol-3-yl)methyl 3-ethylthiophene-2-carboxylate?
(5-tert-butyl-1,2-oxazol-3-yl)methyl 3-ethylthiophene-2-carboxylate has a molecular weight of 293.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,2-oxazol-3-yl)methyl 3-ethylthiophene-2-carboxylate is sourced from PubChem (CID 100723946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).