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

C11H8BrF2N3O3 — CID 167618481

IUPAC2-bromo-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(Br)o1
InChIInChI=1S/C11H8BrF2N3O3/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)
InChIKeyMCDSLKJSKKDNEI-UHFFFAOYSA-N
MW348.10 g/mol
LogP1.96
Rot. Bonds4

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

2-bromo-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide (PubChem CID 167618481) has the molecular formula C11H8BrF2N3O3 and a molecular weight of 348.10 g/mol. Its IUPAC name is 2-bromo-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide
PubChem CID167618481
Molecular FormulaC11H8BrF2N3O3
Molecular Weight348.10 g/mol
Exact Mass346.97
IUPAC Name2-bromo-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(Br)o1
InChIInChI=1S/C11H8BrF2N3O3/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)
InChIKeyMCDSLKJSKKDNEI-UHFFFAOYSA-N
XLogP1.96
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.10
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 167627100
2-bromo-N-(4-chlorophenyl)-1,3-oxazole-5-carboxamide
CID 170985777
4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide
CID 167631207
2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide
CID 166024385
N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide
CID 146323136
2-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 146323287
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-methylsulfonylthiolane-2-carboxamide
CID 166024375
2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 146323132
5-acetamido-4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiolane-2-carboxamide
CID 166024240
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
CID 146323285
5-chloro-2-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-4-N,4-N-dimethylthiolane-2,4-dicarboxamide
CID 166024244
4-chloro-5-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1-methylpyrrole-2-carboxamide
CID 167684866

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-bromo-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide (CID 167618481) is 2-bromo-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-bromo-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(Br)o1.
What is the InChIKey of 2-bromo-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide?
The InChIKey is MCDSLKJSKKDNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3O3/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-bromo-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide?
2-bromo-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide has a molecular weight of 348.10 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 167618481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).