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

C11H7NOS — CID 54399568

IUPAC3-thiophen-3-yl-1,2-benzoxazole
SMILESc1ccc2c(-c3ccsc3)noc2c1
InChIInChI=1S/C11H7NOS/c1-2-4-10-9(3-1)11(12-13-10)8-5-6-14-7-8/h1-7H
InChIKeyCEDINGSKIFGVLO-UHFFFAOYSA-N
MW201.25 g/mol
LogP3.56
Rot. Bonds1

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

3-thiophen-3-yl-1,2-benzoxazole (PubChem CID 54399568) has the molecular formula C11H7NOS and a molecular weight of 201.25 g/mol. Its IUPAC name is 3-thiophen-3-yl-1,2-benzoxazole.

Molecular Properties

Compound Name3-thiophen-3-yl-1,2-benzoxazole
PubChem CID54399568
Molecular FormulaC11H7NOS
Molecular Weight201.25 g/mol
Exact Mass201.02
IUPAC Name3-thiophen-3-yl-1,2-benzoxazole
SMILESc1ccc2c(-c3ccsc3)noc2c1
InChIInChI=1S/C11H7NOS/c1-2-4-10-9(3-1)11(12-13-10)8-5-6-14-7-8/h1-7H
InChIKeyCEDINGSKIFGVLO-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 3-thiophen-3-yl-1,2-benzoxazole?
The IUPAC name of 3-thiophen-3-yl-1,2-benzoxazole (CID 54399568) is 3-thiophen-3-yl-1,2-benzoxazole.
What is the SMILES notation for 3-thiophen-3-yl-1,2-benzoxazole?
The canonical SMILES for 3-thiophen-3-yl-1,2-benzoxazole is c1ccc2c(-c3ccsc3)noc2c1.
What is the InChIKey of 3-thiophen-3-yl-1,2-benzoxazole?
The InChIKey is CEDINGSKIFGVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NOS/c1-2-4-10-9(3-1)11(12-13-10)8-5-6-14-7-8/h1-7H.
What are the key properties of 3-thiophen-3-yl-1,2-benzoxazole?
3-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 3-thiophen-3-yl-1,2-benzoxazole is sourced from PubChem (CID 54399568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).