methyl 3-[(4-methyl-1,2-oxazole-3-carbonyl)amino]benzoate

C13H12N2O4 — CID 110861628

IUPACmethyl 3-[(4-methyl-1,2-oxazole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2nocc2C)c1
InChIInChI=1S/C13H12N2O4/c1-8-7-19-15-11(8)12(16)14-10-5-3-4-9(6-10)13(17)18-2/h3-7H,1-2H3,(H,14,16)
InChIKeyQEBAUNSRKIOJOK-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.02
Rot. Bonds3

About methyl 3-[(4-methyl-1,2-oxazole-3-carbonyl)amino]benzoate

methyl 3-[(4-methyl-1,2-oxazole-3-carbonyl)amino]benzoate (PubChem CID 110861628) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is methyl 3-[(4-methyl-1,2-oxazole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-methyl-1,2-oxazole-3-carbonyl)amino]benzoate
PubChem CID110861628
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Namemethyl 3-[(4-methyl-1,2-oxazole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2nocc2C)c1
InChIInChI=1S/C13H12N2O4/c1-8-7-19-15-11(8)12(16)14-10-5-3-4-9(6-10)13(17)18-2/h3-7H,1-2H3,(H,14,16)
InChIKeyQEBAUNSRKIOJOK-UHFFFAOYSA-N
XLogP2.02
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 3-[(4-methylfuran-2-carbonyl)amino]benzoate
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methyl 3-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]benzoate
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methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate
CID 17417091
methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate
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methyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate
CID 110689290
methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate
CID 65311803
methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
CID 110861657
methyl 3-(pyrazine-2-carbonylamino)benzoate
CID 862107
methyl 3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]benzoate
CID 110424177
methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carbonyl]amino]benzoate
CID 109164633
methyl 3-[[2-(2,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 30847810

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methyl-1,2-oxazole-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(4-methyl-1,2-oxazole-3-carbonyl)amino]benzoate (CID 110861628) is methyl 3-[(4-methyl-1,2-oxazole-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(4-methyl-1,2-oxazole-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(4-methyl-1,2-oxazole-3-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2nocc2C)c1.
What is the InChIKey of methyl 3-[(4-methyl-1,2-oxazole-3-carbonyl)amino]benzoate?
The InChIKey is QEBAUNSRKIOJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-7-19-15-11(8)12(16)14-10-5-3-4-9(6-10)13(17)18-2/h3-7H,1-2H3,(H,14,16).
What are the key properties of methyl 3-[(4-methyl-1,2-oxazole-3-carbonyl)amino]benzoate?
methyl 3-[(4-methyl-1,2-oxazole-3-carbonyl)amino]benzoate has a molecular weight of 260.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methyl-1,2-oxazole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 110861628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).