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

C17H12F2N2O2 — CID 13035559

IUPAC2,6-difluoro-N-[3-(3-methylphenyl)-1,2-oxazol-5-yl]benzamide
SMILESCc1cccc(-c2cc(NC(=O)c3c(F)cccc3F)on2)c1
InChIInChI=1S/C17H12F2N2O2/c1-10-4-2-5-11(8-10)14-9-15(23-21-14)20-17(22)16-12(18)6-3-7-13(16)19/h2-9H,1H3,(H,20,22)
InChIKeyIIIVOOGAEASMRN-UHFFFAOYSA-N
MW314.29 g/mol
LogP4.18
Rot. Bonds3

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

2,6-difluoro-N-[3-(3-methylphenyl)-1,2-oxazol-5-yl]benzamide (PubChem CID 13035559) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-(3-methylphenyl)-1,2-oxazol-5-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[3-(3-methylphenyl)-1,2-oxazol-5-yl]benzamide
PubChem CID13035559
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Name2,6-difluoro-N-[3-(3-methylphenyl)-1,2-oxazol-5-yl]benzamide
SMILESCc1cccc(-c2cc(NC(=O)c3c(F)cccc3F)on2)c1
InChIInChI=1S/C17H12F2N2O2/c1-10-4-2-5-11(8-10)14-9-15(23-21-14)20-17(22)16-12(18)6-3-7-13(16)19/h2-9H,1H3,(H,20,22)
InChIKeyIIIVOOGAEASMRN-UHFFFAOYSA-N
XLogP4.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-(3-methylphenyl)-1,2-oxazol-5-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[3-(3-methylphenyl)-1,2-oxazol-5-yl]benzamide (CID 13035559) is 2,6-difluoro-N-[3-(3-methylphenyl)-1,2-oxazol-5-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[3-(3-methylphenyl)-1,2-oxazol-5-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[3-(3-methylphenyl)-1,2-oxazol-5-yl]benzamide is Cc1cccc(-c2cc(NC(=O)c3c(F)cccc3F)on2)c1.
What is the InChIKey of 2,6-difluoro-N-[3-(3-methylphenyl)-1,2-oxazol-5-yl]benzamide?
The InChIKey is IIIVOOGAEASMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c1-10-4-2-5-11(8-10)14-9-15(23-21-14)20-17(22)16-12(18)6-3-7-13(16)19/h2-9H,1H3,(H,20,22).
What are the key properties of 2,6-difluoro-N-[3-(3-methylphenyl)-1,2-oxazol-5-yl]benzamide?
2,6-difluoro-N-[3-(3-methylphenyl)-1,2-oxazol-5-yl]benzamide has a molecular weight of 314.29 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[3-(3-methylphenyl)-1,2-oxazol-5-yl]benzamide is sourced from PubChem (CID 13035559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).