[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate

C24H24N2O5 — CID 18278082

IUPAC[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
SMILESCC(=O)Nc1ccc(C(=O)C(C)OC(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C24H24N2O5/c1-15-4-6-18(7-5-15)21-14-25-22(31-21)12-13-23(28)30-16(2)24(29)19-8-10-20(11-9-19)26-17(3)27/h4-11,14,16H,12-13H2,1-3H3,(H,26,27)
InChIKeyCNHMORJMSFIWHE-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.36
Rot. Bonds8

About [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate

[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 18278082) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID18278082
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
SMILESCC(=O)Nc1ccc(C(=O)C(C)OC(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C24H24N2O5/c1-15-4-6-18(7-5-15)21-14-25-22(31-21)12-13-23(28)30-16(2)24(29)19-8-10-20(11-9-19)26-17(3)27/h4-11,14,16H,12-13H2,1-3H3,(H,26,27)
InChIKeyCNHMORJMSFIWHE-UHFFFAOYSA-N
XLogP4.36
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 55496198
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16603328
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 18230514
[1-(3-methylanilino)-1-oxopropan-2-yl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 46695521
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16579833
[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 55509148
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 46695283
[2-(4-ethoxyanilino)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16579877
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55508959
N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422468
(4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 30136027
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390

Frequently Asked Questions

What is the IUPAC name of [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate (CID 18278082) is [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate is CC(=O)Nc1ccc(C(=O)C(C)OC(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1.
What is the InChIKey of [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is CNHMORJMSFIWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-15-4-6-18(7-5-15)21-14-25-22(31-21)12-13-23(28)30-16(2)24(29)19-8-10-20(11-9-19)26-17(3)27/h4-11,14,16H,12-13H2,1-3H3,(H,26,27).
What are the key properties of [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 420.47 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 18278082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).