(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-benzofuran-2-carboxylate

C17H11NO4S — CID 8751691

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-benzofuran-2-carboxylate
SMILESO=C(OCc1cc(-c2cccs2)on1)c1cc2ccccc2o1
InChIInChI=1S/C17H11NO4S/c19-17(15-8-11-4-1-2-5-13(11)21-15)20-10-12-9-14(22-18-12)16-6-3-7-23-16/h1-9H,10H2
InChIKeyWZJRVJLIGHHJSW-UHFFFAOYSA-N
MW325.35 g/mol
LogP4.51
Rot. Bonds4

About (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-benzofuran-2-carboxylate

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-benzofuran-2-carboxylate (PubChem CID 8751691) has the molecular formula C17H11NO4S and a molecular weight of 325.35 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-benzofuran-2-carboxylate
PubChem CID8751691
Molecular FormulaC17H11NO4S
Molecular Weight325.35 g/mol
Exact Mass325.04
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-benzofuran-2-carboxylate
SMILESO=C(OCc1cc(-c2cccs2)on1)c1cc2ccccc2o1
InChIInChI=1S/C17H11NO4S/c19-17(15-8-11-4-1-2-5-13(11)21-15)20-10-12-9-14(22-18-12)16-6-3-7-23-16/h1-9H,10H2
InChIKeyWZJRVJLIGHHJSW-UHFFFAOYSA-N
XLogP4.51
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-benzofuran-2-carboxylate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-benzofuran-2-carboxylate (CID 8751691) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-benzofuran-2-carboxylate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-benzofuran-2-carboxylate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-benzofuran-2-carboxylate is O=C(OCc1cc(-c2cccs2)on1)c1cc2ccccc2o1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-benzofuran-2-carboxylate?
The InChIKey is WZJRVJLIGHHJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO4S/c19-17(15-8-11-4-1-2-5-13(11)21-15)20-10-12-9-14(22-18-12)16-6-3-7-23-16/h1-9H,10H2.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-benzofuran-2-carboxylate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-benzofuran-2-carboxylate has a molecular weight of 325.35 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-benzofuran-2-carboxylate is sourced from PubChem (CID 8751691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).