7-thiophen-3-yl-1,2-benzoxazole

C11H7NOS — CID 54325445

IUPAC7-thiophen-3-yl-1,2-benzoxazole
SMILESc1cc(-c2ccsc2)c2oncc2c1
InChIInChI=1S/C11H7NOS/c1-2-8-6-12-13-11(8)10(3-1)9-4-5-14-7-9/h1-7H
InChIKeyUZSKDWCVIRRPTK-UHFFFAOYSA-N
MW201.25 g/mol
LogP3.56
Rot. Bonds1

About 7-thiophen-3-yl-1,2-benzoxazole

7-thiophen-3-yl-1,2-benzoxazole (PubChem CID 54325445) has the molecular formula C11H7NOS and a molecular weight of 201.25 g/mol. Its IUPAC name is 7-thiophen-3-yl-1,2-benzoxazole.

Molecular Properties

Compound Name7-thiophen-3-yl-1,2-benzoxazole
PubChem CID54325445
Molecular FormulaC11H7NOS
Molecular Weight201.25 g/mol
Exact Mass201.02
IUPAC Name7-thiophen-3-yl-1,2-benzoxazole
SMILESc1cc(-c2ccsc2)c2oncc2c1
InChIInChI=1S/C11H7NOS/c1-2-8-6-12-13-11(8)10(3-1)9-4-5-14-7-9/h1-7H
InChIKeyUZSKDWCVIRRPTK-UHFFFAOYSA-N
XLogP3.56
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-thiophen-3-yl-1,2-benzoxazole?
The IUPAC name of 7-thiophen-3-yl-1,2-benzoxazole (CID 54325445) is 7-thiophen-3-yl-1,2-benzoxazole.
What is the SMILES notation for 7-thiophen-3-yl-1,2-benzoxazole?
The canonical SMILES for 7-thiophen-3-yl-1,2-benzoxazole is c1cc(-c2ccsc2)c2oncc2c1.
What is the InChIKey of 7-thiophen-3-yl-1,2-benzoxazole?
The InChIKey is UZSKDWCVIRRPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NOS/c1-2-8-6-12-13-11(8)10(3-1)9-4-5-14-7-9/h1-7H.
What are the key properties of 7-thiophen-3-yl-1,2-benzoxazole?
7-thiophen-3-yl-1,2-benzoxazole has a molecular weight of 201.25 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiophen-3-yl-1,2-benzoxazole is sourced from PubChem (CID 54325445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).