4-[[5-fluoro-4-[3-(1,3-oxazol-2-yl)anilino]pyrimidin-2-yl]amino]benzamide

C20H15FN6O2 — CID 25071925

IUPAC4-[[5-fluoro-4-[3-(1,3-oxazol-2-yl)anilino]pyrimidin-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2ncc(F)c(Nc3cccc(-c4ncco4)c3)n2)cc1
InChIInChI=1S/C20H15FN6O2/c21-16-11-24-20(26-14-6-4-12(5-7-14)17(22)28)27-18(16)25-15-3-1-2-13(10-15)19-23-8-9-29-19/h1-11H,(H2,22,28)(H2,24,25,26,27)
InChIKeyKPDSYXOQCSZKOC-UHFFFAOYSA-N
MW390.38 g/mol
LogP3.86
Rot. Bonds6

About 4-[[5-fluoro-4-[3-(1,3-oxazol-2-yl)anilino]pyrimidin-2-yl]amino]benzamide

4-[[5-fluoro-4-[3-(1,3-oxazol-2-yl)anilino]pyrimidin-2-yl]amino]benzamide (PubChem CID 25071925) has the molecular formula C20H15FN6O2 and a molecular weight of 390.38 g/mol. Its IUPAC name is 4-[[5-fluoro-4-[3-(1,3-oxazol-2-yl)anilino]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[5-fluoro-4-[3-(1,3-oxazol-2-yl)anilino]pyrimidin-2-yl]amino]benzamide
PubChem CID25071925
Molecular FormulaC20H15FN6O2
Molecular Weight390.38 g/mol
Exact Mass390.12
IUPAC Name4-[[5-fluoro-4-[3-(1,3-oxazol-2-yl)anilino]pyrimidin-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2ncc(F)c(Nc3cccc(-c4ncco4)c3)n2)cc1
InChIInChI=1S/C20H15FN6O2/c21-16-11-24-20(26-14-6-4-12(5-7-14)17(22)28)27-18(16)25-15-3-1-2-13(10-15)19-23-8-9-29-19/h1-11H,(H2,22,28)(H2,24,25,26,27)
InChIKeyKPDSYXOQCSZKOC-UHFFFAOYSA-N
XLogP3.86
TPSA118.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-4-[3-(1,3-oxazol-2-yl)anilino]pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 4-[[5-fluoro-4-[3-(1,3-oxazol-2-yl)anilino]pyrimidin-2-yl]amino]benzamide (CID 25071925) is 4-[[5-fluoro-4-[3-(1,3-oxazol-2-yl)anilino]pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[5-fluoro-4-[3-(1,3-oxazol-2-yl)anilino]pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[5-fluoro-4-[3-(1,3-oxazol-2-yl)anilino]pyrimidin-2-yl]amino]benzamide is NC(=O)c1ccc(Nc2ncc(F)c(Nc3cccc(-c4ncco4)c3)n2)cc1.
What is the InChIKey of 4-[[5-fluoro-4-[3-(1,3-oxazol-2-yl)anilino]pyrimidin-2-yl]amino]benzamide?
The InChIKey is KPDSYXOQCSZKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O2/c21-16-11-24-20(26-14-6-4-12(5-7-14)17(22)28)27-18(16)25-15-3-1-2-13(10-15)19-23-8-9-29-19/h1-11H,(H2,22,28)(H2,24,25,26,27).
What are the key properties of 4-[[5-fluoro-4-[3-(1,3-oxazol-2-yl)anilino]pyrimidin-2-yl]amino]benzamide?
4-[[5-fluoro-4-[3-(1,3-oxazol-2-yl)anilino]pyrimidin-2-yl]amino]benzamide has a molecular weight of 390.38 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-fluoro-4-[3-(1,3-oxazol-2-yl)anilino]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 25071925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).