2,6-difluoro-N-[5-[3-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]benzamide

C20H12F2N2O2S — CID 58703376

IUPAC2,6-difluoro-N-[5-[3-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]benzamide
SMILESO=C(Nc1ccc(-c2cccc(-c3cnco3)c2)s1)c1c(F)cccc1F
InChIInChI=1S/C20H12F2N2O2S/c21-14-5-2-6-15(22)19(14)20(25)24-18-8-7-17(27-18)13-4-1-3-12(9-13)16-10-23-11-26-16/h1-11H,(H,24,25)
InChIKeyUFQUDEDAOLWTRO-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.60
Rot. Bonds4

About 2,6-difluoro-N-[5-[3-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]benzamide

2,6-difluoro-N-[5-[3-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]benzamide (PubChem CID 58703376) has the molecular formula C20H12F2N2O2S and a molecular weight of 382.39 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[3-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[3-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]benzamide
PubChem CID58703376
Molecular FormulaC20H12F2N2O2S
Molecular Weight382.39 g/mol
Exact Mass382.06
IUPAC Name2,6-difluoro-N-[5-[3-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]benzamide
SMILESO=C(Nc1ccc(-c2cccc(-c3cnco3)c2)s1)c1c(F)cccc1F
InChIInChI=1S/C20H12F2N2O2S/c21-14-5-2-6-15(22)19(14)20(25)24-18-8-7-17(27-18)13-4-1-3-12(9-13)16-10-23-11-26-16/h1-11H,(H,24,25)
InChIKeyUFQUDEDAOLWTRO-UHFFFAOYSA-N
XLogP5.60
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[3-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[3-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]benzamide (CID 58703376) is 2,6-difluoro-N-[5-[3-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[3-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[3-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]benzamide is O=C(Nc1ccc(-c2cccc(-c3cnco3)c2)s1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[5-[3-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]benzamide?
The InChIKey is UFQUDEDAOLWTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O2S/c21-14-5-2-6-15(22)19(14)20(25)24-18-8-7-17(27-18)13-4-1-3-12(9-13)16-10-23-11-26-16/h1-11H,(H,24,25).
What are the key properties of 2,6-difluoro-N-[5-[3-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]benzamide?
2,6-difluoro-N-[5-[3-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]benzamide has a molecular weight of 382.39 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[3-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 58703376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).