N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide

C24H18F4N2O2 — CID 42815914

IUPACN-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(c1ccccc1F)N(Cc1ccc(F)cc1)CC1CC(c2ccc(F)cc2F)=NO1
InChIInChI=1S/C24H18F4N2O2/c25-16-7-5-15(6-8-16)13-30(24(31)20-3-1-2-4-21(20)27)14-18-12-23(29-32-18)19-10-9-17(26)11-22(19)28/h1-11,18H,12-14H2
InChIKeyOJNSEZFMRRNQHL-UHFFFAOYSA-N
MW442.41 g/mol
LogP5.08
Rot. Bonds6

About N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide

N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 42815914) has the molecular formula C24H18F4N2O2 and a molecular weight of 442.41 g/mol. Its IUPAC name is N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID42815914
Molecular FormulaC24H18F4N2O2
Molecular Weight442.41 g/mol
Exact Mass442.13
IUPAC NameN-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(c1ccccc1F)N(Cc1ccc(F)cc1)CC1CC(c2ccc(F)cc2F)=NO1
InChIInChI=1S/C24H18F4N2O2/c25-16-7-5-15(6-8-16)13-30(24(31)20-3-1-2-4-21(20)27)14-18-12-23(29-32-18)19-10-9-17(26)11-22(19)28/h1-11,18H,12-14H2
InChIKeyOJNSEZFMRRNQHL-UHFFFAOYSA-N
XLogP5.08
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.41
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide (CID 42815914) is N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide is O=C(c1ccccc1F)N(Cc1ccc(F)cc1)CC1CC(c2ccc(F)cc2F)=NO1.
What is the InChIKey of N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is OJNSEZFMRRNQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N2O2/c25-16-7-5-15(6-8-16)13-30(24(31)20-3-1-2-4-21(20)27)14-18-12-23(29-32-18)19-10-9-17(26)11-22(19)28/h1-11,18H,12-14H2.
What are the key properties of N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 442.41 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 42815914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).