2-[2-(1-benzofuran-2-yl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate

C17H10NO4S- — CID 59384796

IUPAC2-[2-(1-benzofuran-2-yl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
SMILESO=C([O-])Cc1nc(-c2cc3ccccc3o2)oc1-c1cccs1
InChIInChI=1S/C17H11NO4S/c19-15(20)9-11-16(14-6-3-7-23-14)22-17(18-11)13-8-10-4-1-2-5-12(10)21-13/h1-8H,9H2,(H,19,20)/p-1
InChIKeyUPGMFKZUJWSVLN-UHFFFAOYSA-M
MW324.34 g/mol
LogP3.11
Rot. Bonds4

About 2-[2-(1-benzofuran-2-yl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate

2-[2-(1-benzofuran-2-yl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate (PubChem CID 59384796) has the molecular formula C17H10NO4S- and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-(1-benzofuran-2-yl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
PubChem CID59384796
Molecular FormulaC17H10NO4S-
Molecular Weight324.34 g/mol
Exact Mass324.03
IUPAC Name2-[2-(1-benzofuran-2-yl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
SMILESO=C([O-])Cc1nc(-c2cc3ccccc3o2)oc1-c1cccs1
InChIInChI=1S/C17H11NO4S/c19-15(20)9-11-16(14-6-3-7-23-14)22-17(18-11)13-8-10-4-1-2-5-12(10)21-13/h1-8H,9H2,(H,19,20)/p-1
InChIKeyUPGMFKZUJWSVLN-UHFFFAOYSA-M
XLogP3.11
TPSA79.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate?
The IUPAC name of 2-[2-(1-benzofuran-2-yl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate (CID 59384796) is 2-[2-(1-benzofuran-2-yl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate?
The canonical SMILES for 2-[2-(1-benzofuran-2-yl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate is O=C([O-])Cc1nc(-c2cc3ccccc3o2)oc1-c1cccs1.
What is the InChIKey of 2-[2-(1-benzofuran-2-yl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate?
The InChIKey is UPGMFKZUJWSVLN-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H11NO4S/c19-15(20)9-11-16(14-6-3-7-23-14)22-17(18-11)13-8-10-4-1-2-5-12(10)21-13/h1-8H,9H2,(H,19,20)/p-1.
What are the key properties of 2-[2-(1-benzofuran-2-yl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate?
2-[2-(1-benzofuran-2-yl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate has a molecular weight of 324.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-2-yl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 59384796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).