2-(2,6-difluorophenyl)-N-[4-(2-methylphenyl)-3-(1,2-oxazol-3-yl)phenyl]acetamide

C24H18F2N2O2 — CID 69287714

IUPAC2-(2,6-difluorophenyl)-N-[4-(2-methylphenyl)-3-(1,2-oxazol-3-yl)phenyl]acetamide
SMILESCc1ccccc1-c1ccc(NC(=O)Cc2c(F)cccc2F)cc1-c1ccon1
InChIInChI=1S/C24H18F2N2O2/c1-15-5-2-3-6-17(15)18-10-9-16(13-19(18)23-11-12-30-28-23)27-24(29)14-20-21(25)7-4-8-22(20)26/h2-13H,14H2,1H3,(H,27,29)
InChIKeyHCLZDURNLOPUCX-UHFFFAOYSA-N
MW404.42 g/mol
LogP5.78
Rot. Bonds5

About 2-(2,6-difluorophenyl)-N-[4-(2-methylphenyl)-3-(1,2-oxazol-3-yl)phenyl]acetamide

2-(2,6-difluorophenyl)-N-[4-(2-methylphenyl)-3-(1,2-oxazol-3-yl)phenyl]acetamide (PubChem CID 69287714) has the molecular formula C24H18F2N2O2 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[4-(2-methylphenyl)-3-(1,2-oxazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[4-(2-methylphenyl)-3-(1,2-oxazol-3-yl)phenyl]acetamide
PubChem CID69287714
Molecular FormulaC24H18F2N2O2
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Name2-(2,6-difluorophenyl)-N-[4-(2-methylphenyl)-3-(1,2-oxazol-3-yl)phenyl]acetamide
SMILESCc1ccccc1-c1ccc(NC(=O)Cc2c(F)cccc2F)cc1-c1ccon1
InChIInChI=1S/C24H18F2N2O2/c1-15-5-2-3-6-17(15)18-10-9-16(13-19(18)23-11-12-30-28-23)27-24(29)14-20-21(25)7-4-8-22(20)26/h2-13H,14H2,1H3,(H,27,29)
InChIKeyHCLZDURNLOPUCX-UHFFFAOYSA-N
XLogP5.78
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.42
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide
CID 7711262
N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 975481
N-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3571869
7-methyl-4-(3-(3-methylisoxazol-5-yl)phenyl)-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
CID 18548795
N-(2,4-Difluoro-phenyl)-2-(3-dodecyl-isoxazol-5-yl)-2-phenyl-acetamide
CID 18955387
N-(2,4-Difluoro-phenyl)-2-(5-dodecyl-isoxazol-3-yl)-2-phenyl-acetamide
CID 18955388
3-(2,4-difluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 16030825
N-[4-[[3-(2-fluorophenyl)phenyl]carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide
CID 68604357
2-[3-[(2R)-1-(4-methyl-1,2-oxazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139360404
2-[3-[1-(4-methyl-1,2-oxazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139360414
2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-difluoroanilino]-N-hydroxybenzamide
CID 153457699
2-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)benzamide
CID 1954069

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[4-(2-methylphenyl)-3-(1,2-oxazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[4-(2-methylphenyl)-3-(1,2-oxazol-3-yl)phenyl]acetamide (CID 69287714) is 2-(2,6-difluorophenyl)-N-[4-(2-methylphenyl)-3-(1,2-oxazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[4-(2-methylphenyl)-3-(1,2-oxazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[4-(2-methylphenyl)-3-(1,2-oxazol-3-yl)phenyl]acetamide is Cc1ccccc1-c1ccc(NC(=O)Cc2c(F)cccc2F)cc1-c1ccon1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[4-(2-methylphenyl)-3-(1,2-oxazol-3-yl)phenyl]acetamide?
The InChIKey is HCLZDURNLOPUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O2/c1-15-5-2-3-6-17(15)18-10-9-16(13-19(18)23-11-12-30-28-23)27-24(29)14-20-21(25)7-4-8-22(20)26/h2-13H,14H2,1H3,(H,27,29).
What are the key properties of 2-(2,6-difluorophenyl)-N-[4-(2-methylphenyl)-3-(1,2-oxazol-3-yl)phenyl]acetamide?
2-(2,6-difluorophenyl)-N-[4-(2-methylphenyl)-3-(1,2-oxazol-3-yl)phenyl]acetamide has a molecular weight of 404.42 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[4-(2-methylphenyl)-3-(1,2-oxazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 69287714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).