2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide

C18H14F2N2O2 — CID 16866628

IUPAC2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCc1ccc(-c2cc(CNC(=O)c3c(F)cccc3F)no2)cc1
InChIInChI=1S/C18H14F2N2O2/c1-11-5-7-12(8-6-11)16-9-13(22-24-16)10-21-18(23)17-14(19)3-2-4-15(17)20/h2-9H,10H2,1H3,(H,21,23)
InChIKeyAZFWMCANZPAROI-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.86
Rot. Bonds4

About 2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide

2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide (PubChem CID 16866628) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
PubChem CID16866628
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCc1ccc(-c2cc(CNC(=O)c3c(F)cccc3F)no2)cc1
InChIInChI=1S/C18H14F2N2O2/c1-11-5-7-12(8-6-11)16-9-13(22-24-16)10-21-18(23)17-14(19)3-2-4-15(17)20/h2-9H,10H2,1H3,(H,21,23)
InChIKeyAZFWMCANZPAROI-UHFFFAOYSA-N
XLogP3.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide
CID 16866853
2-methyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866597
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methylbenzamide
CID 16866852
3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866600
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-naphthalen-1-ylacetamide
CID 16866680
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide
CID 16866727
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 16866683
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-fluorobenzamide
CID 16867253
N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878473
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide
CID 16866881

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide (CID 16866628) is 2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide is Cc1ccc(-c2cc(CNC(=O)c3c(F)cccc3F)no2)cc1.
What is the InChIKey of 2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The InChIKey is AZFWMCANZPAROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c1-11-5-7-12(8-6-11)16-9-13(22-24-16)10-21-18(23)17-14(19)3-2-4-15(17)20/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of 2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide has a molecular weight of 328.32 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide is sourced from PubChem (CID 16866628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).