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

C24H18F2N2O4 — CID 72947090

IUPAC2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]methoxy]benzamide
SMILESCOc1ccc(-c2nc(COc3ccc(F)c(C(N)=O)c3F)oc2-c2ccccc2)cc1
InChIInChI=1S/C24H18F2N2O4/c1-30-16-9-7-14(8-10-16)22-23(15-5-3-2-4-6-15)32-19(28-22)13-31-18-12-11-17(25)20(21(18)26)24(27)29/h2-12H,13H2,1H3,(H2,27,29)
InChIKeyLZARPHPKPSZKIW-UHFFFAOYSA-N
MW436.41 g/mol
LogP4.97
Rot. Bonds7

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

2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]methoxy]benzamide (PubChem CID 72947090) has the molecular formula C24H18F2N2O4 and a molecular weight of 436.41 g/mol. Its IUPAC name is 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]methoxy]benzamide
PubChem CID72947090
Molecular FormulaC24H18F2N2O4
Molecular Weight436.41 g/mol
Exact Mass436.12
IUPAC Name2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]methoxy]benzamide
SMILESCOc1ccc(-c2nc(COc3ccc(F)c(C(N)=O)c3F)oc2-c2ccccc2)cc1
InChIInChI=1S/C24H18F2N2O4/c1-30-16-9-7-14(8-10-16)22-23(15-5-3-2-4-6-15)32-19(28-22)13-31-18-12-11-17(25)20(21(18)26)24(27)29/h2-12H,13H2,1H3,(H2,27,29)
InChIKeyLZARPHPKPSZKIW-UHFFFAOYSA-N
XLogP4.97
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]methoxy]benzamide (CID 72947090) is 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]methoxy]benzamide is COc1ccc(-c2nc(COc3ccc(F)c(C(N)=O)c3F)oc2-c2ccccc2)cc1.
What is the InChIKey of 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]methoxy]benzamide?
The InChIKey is LZARPHPKPSZKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O4/c1-30-16-9-7-14(8-10-16)22-23(15-5-3-2-4-6-15)32-19(28-22)13-31-18-12-11-17(25)20(21(18)26)24(27)29/h2-12H,13H2,1H3,(H2,27,29).
What are the key properties of 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]methoxy]benzamide?
2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]methoxy]benzamide has a molecular weight of 436.41 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]methoxy]benzamide is sourced from PubChem (CID 72947090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).