N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide

C24H18F2N2O2 — CID 43038655

IUPACN-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccc(F)cc1F
InChIInChI=1S/C24H18F2N2O2/c25-18-11-12-20(19(26)15-18)27-21(29)13-14-22-28-23(16-7-3-1-4-8-16)24(30-22)17-9-5-2-6-10-17/h1-12,15H,13-14H2,(H,27,29)
InChIKeyXKZUFVADZMGIDD-UHFFFAOYSA-N
MW404.42 g/mol
LogP5.86
Rot. Bonds6

About N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide

N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 43038655) has the molecular formula C24H18F2N2O2 and a molecular weight of 404.42 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
PubChem CID43038655
Molecular FormulaC24H18F2N2O2
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC NameN-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccc(F)cc1F
InChIInChI=1S/C24H18F2N2O2/c25-18-11-12-20(19(26)15-18)27-21(29)13-14-22-28-23(16-7-3-1-4-8-16)24(30-22)17-9-5-2-6-10-17/h1-12,15H,13-14H2,(H,27,29)
InChIKeyXKZUFVADZMGIDD-UHFFFAOYSA-N
XLogP5.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.42
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 26082693
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 18204988
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
3-[5-(3,5-difluorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
CID 164621381
N-(2,4-difluorophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100754817
N-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 41295504
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4904052
N-(3,4-dimethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 18271983
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-difluorophenyl)propanamide
CID 100757698
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide
CID 28714073
6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid
CID 157423218

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide (CID 43038655) is N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide is O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is XKZUFVADZMGIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O2/c25-18-11-12-20(19(26)15-18)27-21(29)13-14-22-28-23(16-7-3-1-4-8-16)24(30-22)17-9-5-2-6-10-17/h1-12,15H,13-14H2,(H,27,29).
What are the key properties of N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?
N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 404.42 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 43038655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).