2,2,2-trifluoro-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]acetamide

C20H13F3N4O3 — CID 89381839

IUPAC2,2,2-trifluoro-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]acetamide
SMILESO=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2ncccc2c1=O)C(F)(F)F
InChIInChI=1S/C20H13F3N4O3/c21-20(22,23)19(29)26-11-14-15(18-25-9-10-30-18)27(12-5-2-1-3-6-12)17-13(16(14)28)7-4-8-24-17/h1-10H,11H2,(H,26,29)
InChIKeyDEHLZIDXTWOZDO-UHFFFAOYSA-N
MW414.34 g/mol
LogP3.22
Rot. Bonds4

About 2,2,2-trifluoro-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]acetamide

2,2,2-trifluoro-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]acetamide (PubChem CID 89381839) has the molecular formula C20H13F3N4O3 and a molecular weight of 414.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]acetamide
PubChem CID89381839
Molecular FormulaC20H13F3N4O3
Molecular Weight414.34 g/mol
Exact Mass414.09
IUPAC Name2,2,2-trifluoro-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]acetamide
SMILESO=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2ncccc2c1=O)C(F)(F)F
InChIInChI=1S/C20H13F3N4O3/c21-20(22,23)19(29)26-11-14-15(18-25-9-10-30-18)27(12-5-2-1-3-6-12)17-13(16(14)28)7-4-8-24-17/h1-10H,11H2,(H,26,29)
InChIKeyDEHLZIDXTWOZDO-UHFFFAOYSA-N
XLogP3.22
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]acetamide (CID 89381839) is 2,2,2-trifluoro-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]acetamide is O=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2ncccc2c1=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]acetamide?
The InChIKey is DEHLZIDXTWOZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O3/c21-20(22,23)19(29)26-11-14-15(18-25-9-10-30-18)27(12-5-2-1-3-6-12)17-13(16(14)28)7-4-8-24-17/h1-10H,11H2,(H,26,29).
What are the key properties of 2,2,2-trifluoro-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]acetamide has a molecular weight of 414.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 89381839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).