methyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate

C22H21N3O5 — CID 46552527

IUPACmethyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C22H21N3O5/c1-14-18(25-22(30-14)16-6-4-3-5-7-16)12-19(26)24-17-10-8-15(9-11-17)21(28)23-13-20(27)29-2/h3-11H,12-13H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyUWFRCMHDMJAMED-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.73
Rot. Bonds7

About methyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate

methyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate (PubChem CID 46552527) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is methyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate
PubChem CID46552527
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Namemethyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C22H21N3O5/c1-14-18(25-22(30-14)16-6-4-3-5-7-16)12-19(26)24-17-10-8-15(9-11-17)21(28)23-13-20(27)29-2/h3-11H,12-13H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyUWFRCMHDMJAMED-UHFFFAOYSA-N
XLogP2.73
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(2-methoxyphenyl)-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16614446
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
benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate
CID 33283682
methyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]benzoate
CID 110650660
N-[2-(methylamino)-2-oxoethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 32562086
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455
N-[2,5-dimethoxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]benzamide
CID 16614507
diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 46563552
methyl 4-[[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate
CID 110356115
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86776642
2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
CID 22087427

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate (CID 46552527) is methyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc1.
What is the InChIKey of methyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate?
The InChIKey is UWFRCMHDMJAMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-14-18(25-22(30-14)16-6-4-3-5-7-16)12-19(26)24-17-10-8-15(9-11-17)21(28)23-13-20(27)29-2/h3-11H,12-13H2,1-2H3,(H,23,28)(H,24,26).
What are the key properties of methyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate?
methyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate has a molecular weight of 407.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 46552527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).