2,3,4,5,6-pentafluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C11H5F5N2O2 — CID 606787

IUPAC2,3,4,5,6-pentafluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)no1
InChIInChI=1S/C11H5F5N2O2/c1-3-2-4(18-20-3)17-11(19)5-6(12)8(14)10(16)9(15)7(5)13/h2H,1H3,(H,17,18,19)
InChIKeyXYGFHZBZKSRWHF-UHFFFAOYSA-N
MW292.16 g/mol
LogP2.93
Rot. Bonds2

About 2,3,4,5,6-pentafluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide

2,3,4,5,6-pentafluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 606787) has the molecular formula C11H5F5N2O2 and a molecular weight of 292.16 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID606787
Molecular FormulaC11H5F5N2O2
Molecular Weight292.16 g/mol
Exact Mass292.03
IUPAC Name2,3,4,5,6-pentafluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)no1
InChIInChI=1S/C11H5F5N2O2/c1-3-2-4(18-20-3)17-11(19)5-6(12)8(14)10(16)9(15)7(5)13/h2H,1H3,(H,17,18,19)
InChIKeyXYGFHZBZKSRWHF-UHFFFAOYSA-N
XLogP2.93
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 606787) is 2,3,4,5,6-pentafluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide is Cc1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)no1.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is XYGFHZBZKSRWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F5N2O2/c1-3-2-4(18-20-3)17-11(19)5-6(12)8(14)10(16)9(15)7(5)13/h2H,1H3,(H,17,18,19).
What are the key properties of 2,3,4,5,6-pentafluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
2,3,4,5,6-pentafluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 292.16 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 606787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).