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

C15H17N3O4 — CID 109011291

IUPACethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNc1cc(C)on1
InChIInChI=1S/C15H17N3O4/c1-3-21-15(20)11-6-4-5-7-12(11)17-14(19)9-16-13-8-10(2)22-18-13/h4-8H,3,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyFLQJPAZLIUJHMN-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.21
Rot. Bonds6

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

ethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate (PubChem CID 109011291) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is ethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate
PubChem CID109011291
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Nameethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNc1cc(C)on1
InChIInChI=1S/C15H17N3O4/c1-3-21-15(20)11-6-4-5-7-12(11)17-14(19)9-16-13-8-10(2)22-18-13/h4-8H,3,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyFLQJPAZLIUJHMN-UHFFFAOYSA-N
XLogP2.21
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
CID 109009181
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
CID 109010783
butyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoacetyl]amino]benzoate
CID 108514593
ethyl 2-[[2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 112879132
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 42069343
ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate
CID 9099399
ethyl 2-[[2-(4-chloro-2-methylanilino)acetyl]amino]benzoate
CID 26507234
ethyl 2-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109338176
ethyl 2-[[2-(4-chloro-2-fluoroanilino)acetyl]amino]benzoate
CID 9099668

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate (CID 109011291) is ethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CNc1cc(C)on1.
What is the InChIKey of ethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate?
The InChIKey is FLQJPAZLIUJHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-3-21-15(20)11-6-4-5-7-12(11)17-14(19)9-16-13-8-10(2)22-18-13/h4-8H,3,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of ethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate?
ethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate has a molecular weight of 303.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 109011291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).