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

C26H24F2N2O2 — CID 3574546

IUPACN-[(2,4-difluorophenyl)methyl]-4-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2ccc(F)cc2F)CC2CC(c3ccc(C)cc3)=NO2)cc1
InChIInChI=1S/C26H24F2N2O2/c1-17-3-7-19(8-4-17)25-14-23(32-29-25)16-30(15-21-11-12-22(27)13-24(21)28)26(31)20-9-5-18(2)6-10-20/h3-13,23H,14-16H2,1-2H3
InChIKeyIFIZIRMGBXTHPA-UHFFFAOYSA-N
MW434.49 g/mol
LogP5.42
Rot. Bonds6

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

N-[(2,4-difluorophenyl)methyl]-4-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide (PubChem CID 3574546) has the molecular formula C26H24F2N2O2 and a molecular weight of 434.49 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-4-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
PubChem CID3574546
Molecular FormulaC26H24F2N2O2
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC NameN-[(2,4-difluorophenyl)methyl]-4-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2ccc(F)cc2F)CC2CC(c3ccc(C)cc3)=NO2)cc1
InChIInChI=1S/C26H24F2N2O2/c1-17-3-7-19(8-4-17)25-14-23(32-29-25)16-30(15-21-11-12-22(27)13-24(21)28)26(31)20-9-5-18(2)6-10-20/h3-13,23H,14-16H2,1-2H3
InChIKeyIFIZIRMGBXTHPA-UHFFFAOYSA-N
XLogP5.42
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide (CID 3574546) is N-[(2,4-difluorophenyl)methyl]-4-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide is Cc1ccc(C(=O)N(Cc2ccc(F)cc2F)CC2CC(c3ccc(C)cc3)=NO2)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The InChIKey is IFIZIRMGBXTHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O2/c1-17-3-7-19(8-4-17)25-14-23(32-29-25)16-30(15-21-11-12-22(27)13-24(21)28)26(31)20-9-5-18(2)6-10-20/h3-13,23H,14-16H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-4-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
N-[(2,4-difluorophenyl)methyl]-4-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide has a molecular weight of 434.49 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-4-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide is sourced from PubChem (CID 3574546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).