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

C11H6ClF4N3O3 — CID 167620664

IUPAC2-chloro-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)(F)F)c1)c1cnc(Cl)o1
InChIInChI=1S/C11H6ClF4N3O3/c12-10-17-2-7(22-10)8(20)18-5-1-6(13)9(21)19(3-5)4-11(14,15)16/h1-3H,4H2,(H,18,20)
InChIKeyMJVJOHDGVAPWLA-UHFFFAOYSA-N
MW339.63 g/mol
LogP2.44
Rot. Bonds3

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

2-chloro-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-oxazole-5-carboxamide (PubChem CID 167620664) has the molecular formula C11H6ClF4N3O3 and a molecular weight of 339.63 g/mol. Its IUPAC name is 2-chloro-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-oxazole-5-carboxamide
PubChem CID167620664
Molecular FormulaC11H6ClF4N3O3
Molecular Weight339.63 g/mol
Exact Mass339.00
IUPAC Name2-chloro-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)(F)F)c1)c1cnc(Cl)o1
InChIInChI=1S/C11H6ClF4N3O3/c12-10-17-2-7(22-10)8(20)18-5-1-6(13)9(21)19(3-5)4-11(14,15)16/h1-3H,4H2,(H,18,20)
InChIKeyMJVJOHDGVAPWLA-UHFFFAOYSA-N
XLogP2.44
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.63
LogP ≤ 52.44
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-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-chloro-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-oxazole-5-carboxamide (CID 167620664) is 2-chloro-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-oxazole-5-carboxamide is O=C(Nc1cc(F)c(=O)n(CC(F)(F)F)c1)c1cnc(Cl)o1.
What is the InChIKey of 2-chloro-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-oxazole-5-carboxamide?
The InChIKey is MJVJOHDGVAPWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF4N3O3/c12-10-17-2-7(22-10)8(20)18-5-1-6(13)9(21)19(3-5)4-11(14,15)16/h1-3H,4H2,(H,18,20).
What are the key properties of 2-chloro-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-oxazole-5-carboxamide?
2-chloro-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-oxazole-5-carboxamide has a molecular weight of 339.63 g/mol, XLogP of 2.44, 3 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-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 167620664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).