2-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1,3-oxazole-4-carboxamide

C11H7ClF3N3O3 — CID 146323287

IUPAC2-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1coc(Cl)n1
InChIInChI=1S/C11H7ClF3N3O3/c12-11-17-7(4-21-11)9(19)16-5-1-6(13)10(20)18(2-5)3-8(14)15/h1-2,4,8H,3H2,(H,16,19)
InChIKeyJGFDHTDQCWJRQI-UHFFFAOYSA-N
MW321.64 g/mol
LogP2.15
Rot. Bonds4

About 2-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1,3-oxazole-4-carboxamide

2-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 146323287) has the molecular formula C11H7ClF3N3O3 and a molecular weight of 321.64 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1,3-oxazole-4-carboxamide
PubChem CID146323287
Molecular FormulaC11H7ClF3N3O3
Molecular Weight321.64 g/mol
Exact Mass321.01
IUPAC Name2-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1coc(Cl)n1
InChIInChI=1S/C11H7ClF3N3O3/c12-11-17-7(4-21-11)9(19)16-5-1-6(13)10(20)18(2-5)3-8(14)15/h1-2,4,8H,3H2,(H,16,19)
InChIKeyJGFDHTDQCWJRQI-UHFFFAOYSA-N
XLogP2.15
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.64
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1,3-oxazole-4-carboxamide (CID 146323287) is 2-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1,3-oxazole-4-carboxamide is O=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1coc(Cl)n1.
What is the InChIKey of 2-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The InChIKey is JGFDHTDQCWJRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O3/c12-11-17-7(4-21-11)9(19)16-5-1-6(13)10(20)18(2-5)3-8(14)15/h1-2,4,8H,3H2,(H,16,19).
What are the key properties of 2-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1,3-oxazole-4-carboxamide?
2-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 321.64 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 146323287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).