3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide

C25H21F2N3O4 — CID 55800859

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cn2)c1
InChIInChI=1S/C25H21F2N3O4/c1-32-18-3-2-4-19(12-18)33-24-9-5-16(14-29-24)13-28-23(31)8-10-25-30-15-22(34-25)20-7-6-17(26)11-21(20)27/h2-7,9,11-12,14-15H,8,10,13H2,1H3,(H,28,31)
InChIKeyKKRAMYCRLFGQMG-UHFFFAOYSA-N
MW465.46 g/mol
LogP5.06
Rot. Bonds9

About 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide (PubChem CID 55800859) has the molecular formula C25H21F2N3O4 and a molecular weight of 465.46 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
PubChem CID55800859
Molecular FormulaC25H21F2N3O4
Molecular Weight465.46 g/mol
Exact Mass465.15
IUPAC Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cn2)c1
InChIInChI=1S/C25H21F2N3O4/c1-32-18-3-2-4-19(12-18)33-24-9-5-16(14-29-24)13-28-23(31)8-10-25-30-15-22(34-25)20-7-6-17(26)11-21(20)27/h2-7,9,11-12,14-15H,8,10,13H2,1H3,(H,28,31)
InChIKeyKKRAMYCRLFGQMG-UHFFFAOYSA-N
XLogP5.06
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.46
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide with MolForge

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Related Compounds

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 16596736
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide
CID 55800755
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide
CID 34643923
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide
CID 37397863
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 87043584
N-(2-aminoethyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119383503
4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119870371
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119501785
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 32990182
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 18162891
3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide
CID 55800518
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 17444318

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide (CID 55800859) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide is COc1cccc(Oc2ccc(CNC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cn2)c1.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide?
The InChIKey is KKRAMYCRLFGQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O4/c1-32-18-3-2-4-19(12-18)33-24-9-5-16(14-29-24)13-28-23(31)8-10-25-30-15-22(34-25)20-7-6-17(26)11-21(20)27/h2-7,9,11-12,14-15H,8,10,13H2,1H3,(H,28,31).
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide has a molecular weight of 465.46 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 55800859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).