5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole

C8H5F2NOS — CID 102110954

IUPAC5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole
SMILESFC(F)c1cc(-c2cccs2)no1
InChIInChI=1S/C8H5F2NOS/c9-8(10)6-4-5(11-12-6)7-2-1-3-13-7/h1-4,8H
InChIKeyXRNMYGSEGYYDMY-UHFFFAOYSA-N
MW201.20 g/mol
LogP3.34
Rot. Bonds2

About 5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole

5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole (PubChem CID 102110954) has the molecular formula C8H5F2NOS and a molecular weight of 201.20 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole
PubChem CID102110954
Molecular FormulaC8H5F2NOS
Molecular Weight201.20 g/mol
Exact Mass201.01
IUPAC Name5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole
SMILESFC(F)c1cc(-c2cccs2)no1
InChIInChI=1S/C8H5F2NOS/c9-8(10)6-4-5(11-12-6)7-2-1-3-13-7/h1-4,8H
InChIKeyXRNMYGSEGYYDMY-UHFFFAOYSA-N
XLogP3.34
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole?
The IUPAC name of 5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole (CID 102110954) is 5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole.
What is the SMILES notation for 5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole?
The canonical SMILES for 5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole is FC(F)c1cc(-c2cccs2)no1.
What is the InChIKey of 5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole?
The InChIKey is XRNMYGSEGYYDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NOS/c9-8(10)6-4-5(11-12-6)7-2-1-3-13-7/h1-4,8H.
What are the key properties of 5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole?
5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole has a molecular weight of 201.20 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole is sourced from PubChem (CID 102110954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).