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

C14H14N2O4 — CID 110424177

IUPACmethyl 3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2cc(C)on2)c1
InChIInChI=1S/C14H14N2O4/c1-9-6-12(16-20-9)8-13(17)15-11-5-3-4-10(7-11)14(18)19-2/h3-7H,8H2,1-2H3,(H,15,17)
InChIKeyUNARFSMUDODZOO-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.95
Rot. Bonds4

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

methyl 3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]benzoate (PubChem CID 110424177) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl 3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]benzoate
PubChem CID110424177
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Namemethyl 3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2cc(C)on2)c1
InChIInChI=1S/C14H14N2O4/c1-9-6-12(16-20-9)8-13(17)15-11-5-3-4-10(7-11)14(18)19-2/h3-7H,8H2,1-2H3,(H,15,17)
InChIKeyUNARFSMUDODZOO-UHFFFAOYSA-N
XLogP1.95
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)acetamide
CID 110417275
methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 9123441
(5-methyl-1,2-oxazol-3-yl)methyl 3-(ethoxycarbonylamino)benzoate
CID 17418197
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 110425586
N-(3,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110428961
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
N-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 68647812
N-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110421673
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate
CID 17414832
N-(3-acetylphenyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879006
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate
CID 62505130

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]benzoate (CID 110424177) is methyl 3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)Cc2cc(C)on2)c1.
What is the InChIKey of methyl 3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]benzoate?
The InChIKey is UNARFSMUDODZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-6-12(16-20-9)8-13(17)15-11-5-3-4-10(7-11)14(18)19-2/h3-7H,8H2,1-2H3,(H,15,17).
What are the key properties of methyl 3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]benzoate?
methyl 3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]benzoate has a molecular weight of 274.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 110424177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).