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

C14H9FN2O2S — CID 53143179

IUPAC4-fluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide
SMILESO=C(Nc1cc(-c2cccs2)no1)c1ccc(F)cc1
InChIInChI=1S/C14H9FN2O2S/c15-10-5-3-9(4-6-10)14(18)16-13-8-11(17-19-13)12-2-1-7-20-12/h1-8H,(H,16,18)
InChIKeyKCIDFLNOMBAMGZ-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.79
Rot. Bonds3

About 4-fluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide

4-fluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide (PubChem CID 53143179) has the molecular formula C14H9FN2O2S and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-fluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide
PubChem CID53143179
Molecular FormulaC14H9FN2O2S
Molecular Weight288.30 g/mol
Exact Mass288.04
IUPAC Name4-fluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide
SMILESO=C(Nc1cc(-c2cccs2)no1)c1ccc(F)cc1
InChIInChI=1S/C14H9FN2O2S/c15-10-5-3-9(4-6-10)14(18)16-13-8-11(17-19-13)12-2-1-7-20-12/h1-8H,(H,16,18)
InChIKeyKCIDFLNOMBAMGZ-UHFFFAOYSA-N
XLogP3.79
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 4-fluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide (CID 53143179) is 4-fluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide is O=C(Nc1cc(-c2cccs2)no1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide?
The InChIKey is KCIDFLNOMBAMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S/c15-10-5-3-9(4-6-10)14(18)16-13-8-11(17-19-13)12-2-1-7-20-12/h1-8H,(H,16,18).
What are the key properties of 4-fluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide?
4-fluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide has a molecular weight of 288.30 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 53143179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).