2-fluoro-N-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]benzamide

C23H17FN2O2 — CID 46377434

IUPAC2-fluoro-N-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]benzamide
SMILESCc1ccc(-c2coc(-c3cccc(NC(=O)c4ccccc4F)c3)n2)cc1
InChIInChI=1S/C23H17FN2O2/c1-15-9-11-16(12-10-15)21-14-28-23(26-21)17-5-4-6-18(13-17)25-22(27)19-7-2-3-8-20(19)24/h2-14H,1H3,(H,25,27)
InChIKeyLTGJLGSHNAEUEJ-UHFFFAOYSA-N
MW372.40 g/mol
LogP5.71
Rot. Bonds4

About 2-fluoro-N-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]benzamide

2-fluoro-N-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]benzamide (PubChem CID 46377434) has the molecular formula C23H17FN2O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-fluoro-N-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]benzamide
PubChem CID46377434
Molecular FormulaC23H17FN2O2
Molecular Weight372.40 g/mol
Exact Mass372.13
IUPAC Name2-fluoro-N-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]benzamide
SMILESCc1ccc(-c2coc(-c3cccc(NC(=O)c4ccccc4F)c3)n2)cc1
InChIInChI=1S/C23H17FN2O2/c1-15-9-11-16(12-10-15)21-14-28-23(26-21)17-5-4-6-18(13-17)25-22(27)19-7-2-3-8-20(19)24/h2-14H,1H3,(H,25,27)
InChIKeyLTGJLGSHNAEUEJ-UHFFFAOYSA-N
XLogP5.71
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]benzamide (CID 46377434) is 2-fluoro-N-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]benzamide is Cc1ccc(-c2coc(-c3cccc(NC(=O)c4ccccc4F)c3)n2)cc1.
What is the InChIKey of 2-fluoro-N-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]benzamide?
The InChIKey is LTGJLGSHNAEUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2/c1-15-9-11-16(12-10-15)21-14-28-23(26-21)17-5-4-6-18(13-17)25-22(27)19-7-2-3-8-20(19)24/h2-14H,1H3,(H,25,27).
What are the key properties of 2-fluoro-N-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]benzamide?
2-fluoro-N-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]benzamide has a molecular weight of 372.40 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 46377434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).