2,6-difluoro-N-[4-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]benzamide

C26H24F2N2O3 — CID 57330441

IUPAC2,6-difluoro-N-[4-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]benzamide
SMILESCOC1C(c2ccc(C)c(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)c2)=NOC1(C)C
InChIInChI=1S/C26H24F2N2O3/c1-15-8-9-17(23-24(32-4)26(2,3)33-30-23)14-19(15)16-10-12-18(13-11-16)29-25(31)22-20(27)6-5-7-21(22)28/h5-14,24H,1-4H3,(H,29,31)
InChIKeyOVAPXSYEFRBAPF-UHFFFAOYSA-N
MW450.49 g/mol
LogP5.72
Rot. Bonds5

About 2,6-difluoro-N-[4-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]benzamide

2,6-difluoro-N-[4-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]benzamide (PubChem CID 57330441) has the molecular formula C26H24F2N2O3 and a molecular weight of 450.49 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]benzamide
PubChem CID57330441
Molecular FormulaC26H24F2N2O3
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Name2,6-difluoro-N-[4-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]benzamide
SMILESCOC1C(c2ccc(C)c(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)c2)=NOC1(C)C
InChIInChI=1S/C26H24F2N2O3/c1-15-8-9-17(23-24(32-4)26(2,3)33-30-23)14-19(15)16-10-12-18(13-11-16)29-25(31)22-20(27)6-5-7-21(22)28/h5-14,24H,1-4H3,(H,29,31)
InChIKeyOVAPXSYEFRBAPF-UHFFFAOYSA-N
XLogP5.72
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]benzamide (CID 57330441) is 2,6-difluoro-N-[4-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]benzamide is COC1C(c2ccc(C)c(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)c2)=NOC1(C)C.
What is the InChIKey of 2,6-difluoro-N-[4-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]benzamide?
The InChIKey is OVAPXSYEFRBAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O3/c1-15-8-9-17(23-24(32-4)26(2,3)33-30-23)14-19(15)16-10-12-18(13-11-16)29-25(31)22-20(27)6-5-7-21(22)28/h5-14,24H,1-4H3,(H,29,31).
What are the key properties of 2,6-difluoro-N-[4-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]benzamide?
2,6-difluoro-N-[4-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]benzamide has a molecular weight of 450.49 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]benzamide is sourced from PubChem (CID 57330441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).