3,5-difluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide

C14H8F2N2O2S — CID 53143185

IUPAC3,5-difluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide
SMILESO=C(Nc1cc(-c2cccs2)no1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H8F2N2O2S/c15-9-4-8(5-10(16)6-9)14(19)17-13-7-11(18-20-13)12-2-1-3-21-12/h1-7H,(H,17,19)
InChIKeyOULFQFBRAFSZHQ-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.93
Rot. Bonds3

About 3,5-difluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide

3,5-difluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide (PubChem CID 53143185) has the molecular formula C14H8F2N2O2S and a molecular weight of 306.29 g/mol. Its IUPAC name is 3,5-difluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide
PubChem CID53143185
Molecular FormulaC14H8F2N2O2S
Molecular Weight306.29 g/mol
Exact Mass306.03
IUPAC Name3,5-difluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide
SMILESO=C(Nc1cc(-c2cccs2)no1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H8F2N2O2S/c15-9-4-8(5-10(16)6-9)14(19)17-13-7-11(18-20-13)12-2-1-3-21-12/h1-7H,(H,17,19)
InChIKeyOULFQFBRAFSZHQ-UHFFFAOYSA-N
XLogP3.93
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 3,5-difluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide (CID 53143185) is 3,5-difluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 3,5-difluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide is O=C(Nc1cc(-c2cccs2)no1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide?
The InChIKey is OULFQFBRAFSZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O2S/c15-9-4-8(5-10(16)6-9)14(19)17-13-7-11(18-20-13)12-2-1-3-21-12/h1-7H,(H,17,19).
What are the key properties of 3,5-difluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide?
3,5-difluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide has a molecular weight of 306.29 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 53143185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).