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

C24H18F4N2O2 — CID 42790103

IUPACN-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(c1ccccc1F)N(Cc1ccccc1F)CC1CC(c2ccc(F)cc2F)=NO1
InChIInChI=1S/C24H18F4N2O2/c25-16-9-10-18(22(28)11-16)23-12-17(32-29-23)14-30(13-15-5-1-3-7-20(15)26)24(31)19-6-2-4-8-21(19)27/h1-11,17H,12-14H2
InChIKeyCRANNKPEOCFPAW-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-[(2-fluorophenyl)methyl]benzamide

N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 42790103) 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-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID42790103
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-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(c1ccccc1F)N(Cc1ccccc1F)CC1CC(c2ccc(F)cc2F)=NO1
InChIInChI=1S/C24H18F4N2O2/c25-16-9-10-18(22(28)11-16)23-12-17(32-29-23)14-30(13-15-5-1-3-7-20(15)26)24(31)19-6-2-4-8-21(19)27/h1-11,17H,12-14H2
InChIKeyCRANNKPEOCFPAW-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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Related Compounds

N-[(2,4-difluorophenyl)methyl]-N-[[(5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide
CID 93116044
N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide
CID 42669710
N-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide
CID 42815801
N-[[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2-chlorophenyl)methyl]-2-fluorobenzamide
CID 93307860
N-[(2-chlorophenyl)methyl]-2-fluoro-N-[[(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 93307379
2-fluoro-N-[[(5S)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 93307617
N-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 42793728
N-[[(5S)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-3-fluorobenzamide
CID 93307689
N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2-fluorophenyl)methyl]-2-methylpropanamide
CID 42815821
1-[(2,4-difluorophenyl)methyl]-1-[[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,3-dimethylurea
CID 7238525
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 93128456
N-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2-fluorophenyl)methyl]propanamide
CID 42815733

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-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide (CID 42790103) is N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(2-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-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide is O=C(c1ccccc1F)N(Cc1ccccc1F)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-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is CRANNKPEOCFPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N2O2/c25-16-9-10-18(22(28)11-16)23-12-17(32-29-23)14-30(13-15-5-1-3-7-20(15)26)24(31)19-6-2-4-8-21(19)27/h1-11,17H,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-[(2-fluorophenyl)methyl]benzamide?
N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(2-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-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 42790103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).