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

C24H22N2O4 — CID 34139985

IUPAC[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
SMILESCc1ccc(-c2cnc(CCC(=O)OCc3coc(-c4ccc(C)cc4)n3)o2)cc1
InChIInChI=1S/C24H22N2O4/c1-16-3-7-18(8-4-16)21-13-25-22(30-21)11-12-23(27)28-14-20-15-29-24(26-20)19-9-5-17(2)6-10-19/h3-10,13,15H,11-12,14H2,1-2H3
InChIKeyQBAFATQLRUEXTA-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.29
Rot. Bonds7

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

[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 34139985) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID34139985
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
SMILESCc1ccc(-c2cnc(CCC(=O)OCc3coc(-c4ccc(C)cc4)n3)o2)cc1
InChIInChI=1S/C24H22N2O4/c1-16-3-7-18(8-4-16)21-13-25-22(30-21)11-12-23(27)28-14-20-15-29-24(26-20)19-9-5-17(2)6-10-19/h3-10,13,15H,11-12,14H2,1-2H3
InChIKeyQBAFATQLRUEXTA-UHFFFAOYSA-N
XLogP5.29
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 18280129
(4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 30136027
[2-(4-ethoxyanilino)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16579877
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16579833
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 24619168
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate
CID 55537653
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate
CID 55546213
[2-(4-nitroanilino)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 42085127
[2-(N-methylanilino)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16579828
N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51316585
benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate
CID 30699767
dimethyl 5-[[2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyloxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 16579925

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate (CID 34139985) is [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate is Cc1ccc(-c2cnc(CCC(=O)OCc3coc(-c4ccc(C)cc4)n3)o2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is QBAFATQLRUEXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-16-3-7-18(8-4-16)21-13-25-22(30-21)11-12-23(27)28-14-20-15-29-24(26-20)19-9-5-17(2)6-10-19/h3-10,13,15H,11-12,14H2,1-2H3.
What are the key properties of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 402.45 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 34139985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).