2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide

C11H6F4N2O2 — CID 79884775

IUPAC2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnoc1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H6F4N2O2/c12-9-7(2-1-3-8(9)11(13,14)15)10(18)17-6-4-16-19-5-6/h1-5H,(H,17,18)
InChIKeyMWOVHILCXSMANE-UHFFFAOYSA-N
MW274.17 g/mol
LogP3.08
Rot. Bonds2

About 2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide

2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide (PubChem CID 79884775) has the molecular formula C11H6F4N2O2 and a molecular weight of 274.17 g/mol. Its IUPAC name is 2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide
PubChem CID79884775
Molecular FormulaC11H6F4N2O2
Molecular Weight274.17 g/mol
Exact Mass274.04
IUPAC Name2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnoc1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H6F4N2O2/c12-9-7(2-1-3-8(9)11(13,14)15)10(18)17-6-4-16-19-5-6/h1-5H,(H,17,18)
InChIKeyMWOVHILCXSMANE-UHFFFAOYSA-N
XLogP3.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide
CID 71797723
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136
3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 62902054
2-(methylamino)-N-(1,2-oxazol-4-yl)benzamide
CID 62913787
2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide
CID 79885826
2-fluoro-N-(6-methyl-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 79883704
2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide
CID 172774529
5-amino-2-fluoro-N-(1,2-oxazol-4-yl)benzamide
CID 62902582
4-bromo-2-fluoro-N-(1,2-oxazol-4-yl)benzamide
CID 55210684
N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681910
N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 102674046
N-(diaminomethylidene)-2-fluoro-3-(trifluoromethyl)benzamide
CID 15290113

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide (CID 79884775) is 2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide is O=C(Nc1cnoc1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is MWOVHILCXSMANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N2O2/c12-9-7(2-1-3-8(9)11(13,14)15)10(18)17-6-4-16-19-5-6/h1-5H,(H,17,18).
What are the key properties of 2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide?
2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 274.17 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 79884775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).