5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one

C15H9NO3S — CID 57390865

IUPAC5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(-c3ccc(-c4cnco4)s3)ccc21
InChIInChI=1S/C15H9NO3S/c17-15-11-2-1-9(5-10(11)7-18-15)13-3-4-14(20-13)12-6-16-8-19-12/h1-6,8H,7H2
InChIKeyZZLZQMTZPMJUAW-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.74
Rot. Bonds2

About 5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one

5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one (PubChem CID 57390865) has the molecular formula C15H9NO3S and a molecular weight of 283.31 g/mol. Its IUPAC name is 5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one
PubChem CID57390865
Molecular FormulaC15H9NO3S
Molecular Weight283.31 g/mol
Exact Mass283.03
IUPAC Name5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(-c3ccc(-c4cnco4)s3)ccc21
InChIInChI=1S/C15H9NO3S/c17-15-11-2-1-9(5-10(11)7-18-15)13-3-4-14(20-13)12-6-16-8-19-12/h1-6,8H,7H2
InChIKeyZZLZQMTZPMJUAW-UHFFFAOYSA-N
XLogP3.74
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one?
The IUPAC name of 5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one (CID 57390865) is 5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one?
The canonical SMILES for 5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one is O=C1OCc2cc(-c3ccc(-c4cnco4)s3)ccc21.
What is the InChIKey of 5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one?
The InChIKey is ZZLZQMTZPMJUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO3S/c17-15-11-2-1-9(5-10(11)7-18-15)13-3-4-14(20-13)12-6-16-8-19-12/h1-6,8H,7H2.
What are the key properties of 5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one?
5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one has a molecular weight of 283.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 57390865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).