3,5-difluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide

C15H10F2N2O2S — CID 17467954

IUPAC3,5-difluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
SMILESO=C(NCc1coc(-c2cccs2)n1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H10F2N2O2S/c16-10-4-9(5-11(17)6-10)14(20)18-7-12-8-21-15(19-12)13-2-1-3-22-13/h1-6,8H,7H2,(H,18,20)
InChIKeyYQTDKWHLGUYRFH-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.61
Rot. Bonds4

About 3,5-difluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide

3,5-difluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide (PubChem CID 17467954) has the molecular formula C15H10F2N2O2S and a molecular weight of 320.32 g/mol. Its IUPAC name is 3,5-difluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
PubChem CID17467954
Molecular FormulaC15H10F2N2O2S
Molecular Weight320.32 g/mol
Exact Mass320.04
IUPAC Name3,5-difluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
SMILESO=C(NCc1coc(-c2cccs2)n1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H10F2N2O2S/c16-10-4-9(5-11(17)6-10)14(20)18-7-12-8-21-15(19-12)13-2-1-3-22-13/h1-6,8H,7H2,(H,18,20)
InChIKeyYQTDKWHLGUYRFH-UHFFFAOYSA-N
XLogP3.61
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.61
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-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide (CID 17467954) is 3,5-difluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide is O=C(NCc1coc(-c2cccs2)n1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide?
The InChIKey is YQTDKWHLGUYRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2S/c16-10-4-9(5-11(17)6-10)14(20)18-7-12-8-21-15(19-12)13-2-1-3-22-13/h1-6,8H,7H2,(H,18,20).
What are the key properties of 3,5-difluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide?
3,5-difluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide has a molecular weight of 320.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide is sourced from PubChem (CID 17467954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).