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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
CID 146323285
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methylsulfanylthiophene-2-carboxamide
CID 146323308
3-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323175
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(2-pyridin-4-ylethynyl)-1,3,4-oxadiazole-2-carboxamide
CID 146323512
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-pyridin-4-yl-1-benzothiophene-2-carboxamide
CID 167584774
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-[2-(1,3-oxazol-2-yl)-4-pyridinyl]ethynyl]thiophene-2-carboxamide
CID 146323146
4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)thiophene-2-carboxamide
CID 146323188
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-7,7-difluoro-5,6-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 146323416
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methylsulfanylthiolane-2-carboxamide
CID 166024073
4-chloro-5-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiolane-2-carboxamide
CID 166024139
5-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(3-hydroxycyclobutyl)ethynyl]thiophene-2-carboxamide
CID 146323401
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethynyl]thiophene-2-carboxamide
CID 146323436

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).