dimethyl 2-(1,3-oxazole-4-carbonylamino)benzene-1,4-dicarboxylate

C14H12N2O6 — CID 110689637

IUPACdimethyl 2-(1,3-oxazole-4-carbonylamino)benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cocn2)c1
InChIInChI=1S/C14H12N2O6/c1-20-13(18)8-3-4-9(14(19)21-2)10(5-8)16-12(17)11-6-22-7-15-11/h3-7H,1-2H3,(H,16,17)
InChIKeyMPMHQRMOROOUTN-UHFFFAOYSA-N
MW304.26 g/mol
LogP1.50
Rot. Bonds4

About dimethyl 2-(1,3-oxazole-4-carbonylamino)benzene-1,4-dicarboxylate

dimethyl 2-(1,3-oxazole-4-carbonylamino)benzene-1,4-dicarboxylate (PubChem CID 110689637) has the molecular formula C14H12N2O6 and a molecular weight of 304.26 g/mol. Its IUPAC name is dimethyl 2-(1,3-oxazole-4-carbonylamino)benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(1,3-oxazole-4-carbonylamino)benzene-1,4-dicarboxylate
PubChem CID110689637
Molecular FormulaC14H12N2O6
Molecular Weight304.26 g/mol
Exact Mass304.07
IUPAC Namedimethyl 2-(1,3-oxazole-4-carbonylamino)benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cocn2)c1
InChIInChI=1S/C14H12N2O6/c1-20-13(18)8-3-4-9(14(19)21-2)10(5-8)16-12(17)11-6-22-7-15-11/h3-7H,1-2H3,(H,16,17)
InChIKeyMPMHQRMOROOUTN-UHFFFAOYSA-N
XLogP1.50
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate
CID 110691213
dimethyl 2-(1,2-oxazole-5-carbonylamino)benzene-1,4-dicarboxylate
CID 110693692
3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 39315015
dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate
CID 1279607
dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 4228000
2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid
CID 7209741
dimethyl 2-[(2-acetyloxybenzoyl)amino]benzene-1,4-dicarboxylate
CID 986664
dimethyl 2-[(2-oxochromene-3-carbonyl)amino]benzene-1,4-dicarboxylate
CID 1033949
dimethyl 2-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]benzene-1,4-dicarboxylate
CID 45030421
dimethyl 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzene-1,4-dicarboxylate
CID 3236355
dimethyl 2-[[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]amino]benzene-1,4-dicarboxylate
CID 51047543
dimethyl 2-(3-oxobutylcarbamoylamino)benzene-1,4-dicarboxylate
CID 108895118

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(1,3-oxazole-4-carbonylamino)benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-(1,3-oxazole-4-carbonylamino)benzene-1,4-dicarboxylate (CID 110689637) is dimethyl 2-(1,3-oxazole-4-carbonylamino)benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(1,3-oxazole-4-carbonylamino)benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(1,3-oxazole-4-carbonylamino)benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cocn2)c1.
What is the InChIKey of dimethyl 2-(1,3-oxazole-4-carbonylamino)benzene-1,4-dicarboxylate?
The InChIKey is MPMHQRMOROOUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O6/c1-20-13(18)8-3-4-9(14(19)21-2)10(5-8)16-12(17)11-6-22-7-15-11/h3-7H,1-2H3,(H,16,17).
What are the key properties of dimethyl 2-(1,3-oxazole-4-carbonylamino)benzene-1,4-dicarboxylate?
dimethyl 2-(1,3-oxazole-4-carbonylamino)benzene-1,4-dicarboxylate has a molecular weight of 304.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(1,3-oxazole-4-carbonylamino)benzene-1,4-dicarboxylate is sourced from PubChem (CID 110689637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).