2,2,2-trifluoro-N-[4-phenyl-2-(3-thiophen-3-ylphenyl)-1,3-oxazol-5-yl]acetamide

C21H13F3N2O2S — CID 25007993

IUPAC2,2,2-trifluoro-N-[4-phenyl-2-(3-thiophen-3-ylphenyl)-1,3-oxazol-5-yl]acetamide
SMILESO=C(Nc1oc(-c2cccc(-c3ccsc3)c2)nc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H13F3N2O2S/c22-21(23,24)20(27)26-19-17(13-5-2-1-3-6-13)25-18(28-19)15-8-4-7-14(11-15)16-9-10-29-12-16/h1-12H,(H,26,27)
InChIKeyMFRZPRRVDBVKQR-UHFFFAOYSA-N
MW414.41 g/mol
LogP6.24
Rot. Bonds4

About 2,2,2-trifluoro-N-[4-phenyl-2-(3-thiophen-3-ylphenyl)-1,3-oxazol-5-yl]acetamide

2,2,2-trifluoro-N-[4-phenyl-2-(3-thiophen-3-ylphenyl)-1,3-oxazol-5-yl]acetamide (PubChem CID 25007993) has the molecular formula C21H13F3N2O2S and a molecular weight of 414.41 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-phenyl-2-(3-thiophen-3-ylphenyl)-1,3-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-phenyl-2-(3-thiophen-3-ylphenyl)-1,3-oxazol-5-yl]acetamide
PubChem CID25007993
Molecular FormulaC21H13F3N2O2S
Molecular Weight414.41 g/mol
Exact Mass414.06
IUPAC Name2,2,2-trifluoro-N-[4-phenyl-2-(3-thiophen-3-ylphenyl)-1,3-oxazol-5-yl]acetamide
SMILESO=C(Nc1oc(-c2cccc(-c3ccsc3)c2)nc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H13F3N2O2S/c22-21(23,24)20(27)26-19-17(13-5-2-1-3-6-13)25-18(28-19)15-8-4-7-14(11-15)16-9-10-29-12-16/h1-12H,(H,26,27)
InChIKeyMFRZPRRVDBVKQR-UHFFFAOYSA-N
XLogP6.24
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.41
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-phenyl-2-(3-thiophen-3-ylphenyl)-1,3-oxazol-5-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-phenyl-2-(3-thiophen-3-ylphenyl)-1,3-oxazol-5-yl]acetamide (CID 25007993) is 2,2,2-trifluoro-N-[4-phenyl-2-(3-thiophen-3-ylphenyl)-1,3-oxazol-5-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-phenyl-2-(3-thiophen-3-ylphenyl)-1,3-oxazol-5-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-phenyl-2-(3-thiophen-3-ylphenyl)-1,3-oxazol-5-yl]acetamide is O=C(Nc1oc(-c2cccc(-c3ccsc3)c2)nc1-c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-phenyl-2-(3-thiophen-3-ylphenyl)-1,3-oxazol-5-yl]acetamide?
The InChIKey is MFRZPRRVDBVKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2O2S/c22-21(23,24)20(27)26-19-17(13-5-2-1-3-6-13)25-18(28-19)15-8-4-7-14(11-15)16-9-10-29-12-16/h1-12H,(H,26,27).
What are the key properties of 2,2,2-trifluoro-N-[4-phenyl-2-(3-thiophen-3-ylphenyl)-1,3-oxazol-5-yl]acetamide?
2,2,2-trifluoro-N-[4-phenyl-2-(3-thiophen-3-ylphenyl)-1,3-oxazol-5-yl]acetamide has a molecular weight of 414.41 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-phenyl-2-(3-thiophen-3-ylphenyl)-1,3-oxazol-5-yl]acetamide is sourced from PubChem (CID 25007993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).