methyl 4-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)benzoate

C11H12N2O3 — CID 59323707

IUPACmethyl 4-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)benzoate
SMILESCOC(=O)c1ccc(C2COC(N)=N2)cc1
InChIInChI=1S/C11H12N2O3/c1-15-10(14)8-4-2-7(3-5-8)9-6-16-11(12)13-9/h2-5,9H,6H2,1H3,(H2,12,13)
InChIKeyWTBOLUUPYNUCMV-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.86
Rot. Bonds2

About methyl 4-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)benzoate

methyl 4-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)benzoate (PubChem CID 59323707) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 4-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)benzoate
PubChem CID59323707
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 4-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)benzoate
SMILESCOC(=O)c1ccc(C2COC(N)=N2)cc1
InChIInChI=1S/C11H12N2O3/c1-15-10(14)8-4-2-7(3-5-8)9-6-16-11(12)13-9/h2-5,9H,6H2,1H3,(H2,12,13)
InChIKeyWTBOLUUPYNUCMV-UHFFFAOYSA-N
XLogP0.86
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 138489958
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methyl 4-(2-oxooxolan-3-yl)benzoate
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methyl 4-[(2R)-5-oxopyrrolidin-2-yl]benzoate
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methyl 4-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-2-yl]benzoate
CID 102064566
CID 67391169
CID 67391169
dimethyl benzene-1,4-dicarboxylate;methanol;terephthalic acid
CID 159205173
methyl 4-(4-oxo-1,3-thiazolidin-2-yl)benzoate
CID 3119561
dioxolan-4-amine;methyl benzoate
CID 87476629
dimethyl (1S,2R,3R,4S)-4-hydroxy-2-(4-methoxycarbonylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
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methyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate
CID 66237277

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)benzoate?
The IUPAC name of methyl 4-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)benzoate (CID 59323707) is methyl 4-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)benzoate.
What is the SMILES notation for methyl 4-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)benzoate?
The canonical SMILES for methyl 4-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)benzoate is COC(=O)c1ccc(C2COC(N)=N2)cc1.
What is the InChIKey of methyl 4-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)benzoate?
The InChIKey is WTBOLUUPYNUCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-15-10(14)8-4-2-7(3-5-8)9-6-16-11(12)13-9/h2-5,9H,6H2,1H3,(H2,12,13).
What are the key properties of methyl 4-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)benzoate?
methyl 4-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)benzoate has a molecular weight of 220.23 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)benzoate is sourced from PubChem (CID 59323707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).