3-[[5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]oxy]benzamide

C25H22N4O4 — CID 60617239

IUPAC3-[[5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]oxy]benzamide
SMILESCc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)nc3)o2)cc1
InChIInChI=1S/C25H22N4O4/c1-16-5-7-17(8-6-16)21-15-28-24(33-21)12-10-22(30)29-19-9-11-23(27-14-19)32-20-4-2-3-18(13-20)25(26)31/h2-9,11,13-15H,10,12H2,1H3,(H2,26,31)(H,29,30)
InChIKeyXTDWDDQNOJFIHU-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.51
Rot. Bonds8

About 3-[[5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]oxy]benzamide

3-[[5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]oxy]benzamide (PubChem CID 60617239) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 3-[[5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound Name3-[[5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]oxy]benzamide
PubChem CID60617239
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name3-[[5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]oxy]benzamide
SMILESCc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)nc3)o2)cc1
InChIInChI=1S/C25H22N4O4/c1-16-5-7-17(8-6-16)21-15-28-24(33-21)12-10-22(30)29-19-9-11-23(27-14-19)32-20-4-2-3-18(13-20)25(26)31/h2-9,11,13-15H,10,12H2,1H3,(H2,26,31)(H,29,30)
InChIKeyXTDWDDQNOJFIHU-UHFFFAOYSA-N
XLogP4.51
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422468
N-(3,5-dimethoxyphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422470
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)propanamide
CID 17437982
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581120
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methylsulfonylphenyl)propanamide
CID 34237447
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30839863
N-[4-(methoxymethyl)phenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 119049686
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 38404443
N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55637742
N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51316585
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16579827

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]oxy]benzamide?
The IUPAC name of 3-[[5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]oxy]benzamide (CID 60617239) is 3-[[5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for 3-[[5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]oxy]benzamide?
The canonical SMILES for 3-[[5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]oxy]benzamide is Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)nc3)o2)cc1.
What is the InChIKey of 3-[[5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]oxy]benzamide?
The InChIKey is XTDWDDQNOJFIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-16-5-7-17(8-6-16)21-15-28-24(33-21)12-10-22(30)29-19-9-11-23(27-14-19)32-20-4-2-3-18(13-20)25(26)31/h2-9,11,13-15H,10,12H2,1H3,(H2,26,31)(H,29,30).
What are the key properties of 3-[[5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]oxy]benzamide?
3-[[5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]oxy]benzamide has a molecular weight of 442.48 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 60617239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).