2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide

C11H8ClF2N3O3 — CID 167695976

IUPAC2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)c1cnc(Cl)o1
InChIInChI=1S/C11H8ClF2N3O3/c12-11-15-4-8(20-11)9(18)16-6-3-7(14)10(19)17(5-6)2-1-13/h3-5H,1-2H2,(H,16,18)
InChIKeyXQVGLDPLAMBCGC-UHFFFAOYSA-N
MW303.65 g/mol
LogP1.85
Rot. Bonds4

About 2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide

2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide (PubChem CID 167695976) has the molecular formula C11H8ClF2N3O3 and a molecular weight of 303.65 g/mol. Its IUPAC name is 2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide
PubChem CID167695976
Molecular FormulaC11H8ClF2N3O3
Molecular Weight303.65 g/mol
Exact Mass303.02
IUPAC Name2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)c1cnc(Cl)o1
InChIInChI=1S/C11H8ClF2N3O3/c12-11-15-4-8(20-11)9(18)16-6-3-7(14)10(19)17(5-6)2-1-13/h3-5H,1-2H2,(H,16,18)
InChIKeyXQVGLDPLAMBCGC-UHFFFAOYSA-N
XLogP1.85
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.65
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide (CID 167695976) is 2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide is O=C(Nc1cc(F)c(=O)n(CCF)c1)c1cnc(Cl)o1.
What is the InChIKey of 2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide?
The InChIKey is XQVGLDPLAMBCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3O3/c12-11-15-4-8(20-11)9(18)16-6-3-7(14)10(19)17(5-6)2-1-13/h3-5H,1-2H2,(H,16,18).
What are the key properties of 2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide?
2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide has a molecular weight of 303.65 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 167695976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).