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

C16H11F3N2O2S — CID 16867637

IUPACN-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1cc(-c2cccs2)on1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)12-5-2-1-4-11(12)15(22)20-9-10-8-13(23-21-10)14-6-3-7-24-14/h1-8H,9H2,(H,20,22)
InChIKeyYAUDHLBAAMSYSO-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.35
Rot. Bonds4

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

N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 16867637) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID16867637
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC NameN-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1cc(-c2cccs2)on1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)12-5-2-1-4-11(12)15(22)20-9-10-8-13(23-21-10)14-6-3-7-24-14/h1-8H,9H2,(H,20,22)
InChIKeyYAUDHLBAAMSYSO-UHFFFAOYSA-N
XLogP4.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)benzamide (CID 16867637) is N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)benzamide is O=C(NCc1cc(-c2cccs2)on1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is YAUDHLBAAMSYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c17-16(18,19)12-5-2-1-4-11(12)15(22)20-9-10-8-13(23-21-10)14-6-3-7-24-14/h1-8H,9H2,(H,20,22).
What are the key properties of N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)benzamide?
N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 352.34 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 16867637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).