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

C23H16F2N2O2 — CID 11574645

IUPAC2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C23H16F2N2O2/c1-14-5-6-16(23-26-11-12-29-23)13-18(14)15-7-9-17(10-8-15)27-22(28)21-19(24)3-2-4-20(21)25/h2-13H,1H3,(H,27,28)
InChIKeyZOHBMCUPFMAUSR-UHFFFAOYSA-N
MW390.39 g/mol
LogP5.85
Rot. Bonds4

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

2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide (PubChem CID 11574645) has the molecular formula C23H16F2N2O2 and a molecular weight of 390.39 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide
PubChem CID11574645
Molecular FormulaC23H16F2N2O2
Molecular Weight390.39 g/mol
Exact Mass390.12
IUPAC Name2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C23H16F2N2O2/c1-14-5-6-16(23-26-11-12-29-23)13-18(14)15-7-9-17(10-8-15)27-22(28)21-19(24)3-2-4-20(21)25/h2-13H,1H3,(H,27,28)
InChIKeyZOHBMCUPFMAUSR-UHFFFAOYSA-N
XLogP5.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 55.85
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-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide (CID 11574645) is 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide is Cc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide?
The InChIKey is ZOHBMCUPFMAUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O2/c1-14-5-6-16(23-26-11-12-29-23)13-18(14)15-7-9-17(10-8-15)27-22(28)21-19(24)3-2-4-20(21)25/h2-13H,1H3,(H,27,28).
What are the key properties of 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide?
2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide has a molecular weight of 390.39 g/mol, XLogP of 5.85, 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-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzamide is sourced from PubChem (CID 11574645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).