diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate

C24H24N2O6 — CID 46563552

IUPACdiethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc(C(=O)OCC)c1
InChIInChI=1S/C24H24N2O6/c1-4-30-23(28)17-11-18(24(29)31-5-2)13-19(12-17)25-21(27)14-20-15(3)32-22(26-20)16-9-7-6-8-10-16/h6-13H,4-5,14H2,1-3H3,(H,25,27)
InChIKeyXJPDLCLBFALVLN-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.18
Rot. Bonds8

About diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate

diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate (PubChem CID 46563552) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate
PubChem CID46563552
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Namediethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc(C(=O)OCC)c1
InChIInChI=1S/C24H24N2O6/c1-4-30-23(28)17-11-18(24(29)31-5-2)13-19(12-17)25-21(27)14-20-15(3)32-22(26-20)16-9-7-6-8-10-16/h6-13H,4-5,14H2,1-3H3,(H,25,27)
InChIKeyXJPDLCLBFALVLN-UHFFFAOYSA-N
XLogP4.18
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate with MolForge

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Related Compounds

4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16620994
N-ethyl-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 46514633
2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
CID 22087427
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16620648
methyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate
CID 46552527
N-(1-amino-2-methylpropan-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119523291
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 18282283
N-ethyl-2-[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]-N-phenylacetamide
CID 52663048
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-naphthalen-1-ylacetamide
CID 16614398
ethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
CID 51262315
N-(4-methyl-3-nitrophenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 31869311

Frequently Asked Questions

What is the IUPAC name of diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate (CID 46563552) is diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate is CCOC(=O)c1cc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc(C(=O)OCC)c1.
What is the InChIKey of diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is XJPDLCLBFALVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-4-30-23(28)17-11-18(24(29)31-5-2)13-19(12-17)25-21(27)14-20-15(3)32-22(26-20)16-9-7-6-8-10-16/h6-13H,4-5,14H2,1-3H3,(H,25,27).
What are the key properties of diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate?
diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 436.46 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 46563552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).