methyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate

C13H12N2O4 — CID 850521

IUPACmethyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cnoc2C)c1
InChIInChI=1S/C13H12N2O4/c1-8-11(7-14-19-8)12(16)15-10-5-3-4-9(6-10)13(17)18-2/h3-7H,1-2H3,(H,15,16)
InChIKeyYCMZATQQANHYHE-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.02
Rot. Bonds3

About methyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate

methyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate (PubChem CID 850521) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is methyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
PubChem CID850521
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Namemethyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cnoc2C)c1
InChIInChI=1S/C13H12N2O4/c1-8-11(7-14-19-8)12(16)15-10-5-3-4-9(6-10)13(17)18-2/h3-7H,1-2H3,(H,15,16)
InChIKeyYCMZATQQANHYHE-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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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate (CID 850521) is methyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2cnoc2C)c1.
What is the InChIKey of methyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate?
The InChIKey is YCMZATQQANHYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-11(7-14-19-8)12(16)15-10-5-3-4-9(6-10)13(17)18-2/h3-7H,1-2H3,(H,15,16).
What are the key properties of methyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate?
methyl 3-[(5-methyl-1,2-oxazole-4-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-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 850521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).