ethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate

C17H19N3O5 — CID 113181912

IUPACethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN(C(C)=O)c2cc(C)on2)cc1
InChIInChI=1S/C17H19N3O5/c1-4-24-17(23)13-5-7-14(8-6-13)18-16(22)10-20(12(3)21)15-9-11(2)25-19-15/h5-9H,4,10H2,1-3H3,(H,18,22)
InChIKeyKSQLMXPEHZSPTG-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.15
Rot. Bonds6

About ethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate

ethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate (PubChem CID 113181912) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is ethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate
PubChem CID113181912
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Nameethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN(C(C)=O)c2cc(C)on2)cc1
InChIInChI=1S/C17H19N3O5/c1-4-24-17(23)13-5-7-14(8-6-13)18-16(22)10-20(12(3)21)15-9-11(2)25-19-15/h5-9H,4,10H2,1-3H3,(H,18,22)
InChIKeyKSQLMXPEHZSPTG-UHFFFAOYSA-N
XLogP2.15
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-fluorophenyl)acetamide
CID 113181855
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113181908
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-acetylphenyl)propanamide
CID 113135794
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 113181870
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113181914
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chlorophenyl)acetamide
CID 113181857
ethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 113178882
ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate
CID 113171636
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 113181841
ethyl 4-[[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]acetyl]amino]benzoate
CID 113178523
ethyl 4-[[2-(N-acetyl-5-chloro-2-methylanilino)acetyl]amino]benzoate
CID 113171974
ethyl 4-[acetyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]benzoate
CID 113133389

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate (CID 113181912) is ethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CN(C(C)=O)c2cc(C)on2)cc1.
What is the InChIKey of ethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate?
The InChIKey is KSQLMXPEHZSPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-4-24-17(23)13-5-7-14(8-6-13)18-16(22)10-20(12(3)21)15-9-11(2)25-19-15/h5-9H,4,10H2,1-3H3,(H,18,22).
What are the key properties of ethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate?
ethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate has a molecular weight of 345.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 113181912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).