methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxylate

C12H13N3O6 — CID 167977991

IUPACmethyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1OCc1nc(C(=O)OC)co1
InChIInChI=1S/C12H13N3O6/c1-3-19-11(16)7-4-13-15-10(7)21-6-9-14-8(5-20-9)12(17)18-2/h4-5H,3,6H2,1-2H3,(H,13,15)
InChIKeyLGDVAMYHILCADD-UHFFFAOYSA-N
MW295.25 g/mol
LogP0.94
Rot. Bonds6

About methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxylate

methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxylate (PubChem CID 167977991) has the molecular formula C12H13N3O6 and a molecular weight of 295.25 g/mol. Its IUPAC name is methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxylate
PubChem CID167977991
Molecular FormulaC12H13N3O6
Molecular Weight295.25 g/mol
Exact Mass295.08
IUPAC Namemethyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1OCc1nc(C(=O)OC)co1
InChIInChI=1S/C12H13N3O6/c1-3-19-11(16)7-4-13-15-10(7)21-6-9-14-8(5-20-9)12(17)18-2/h4-5H,3,6H2,1-2H3,(H,13,15)
InChIKeyLGDVAMYHILCADD-UHFFFAOYSA-N
XLogP0.94
TPSA116.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate
CID 167754522
methyl 2-(sulfanylmethyl)-1,3-oxazole-4-carboxylate
CID 165481835
ethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate
CID 165436337
ethyl 5-(1-hydroxy-1-sulfanylethyl)-1H-pyrazole-4-carboxylate
CID 145046879
methyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate
CID 42656277
ethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate
CID 44516087
methyl 2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxylate
CID 122673312
4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate
CID 23171065
ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate
CID 167988724
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate
CID 114008821
ethyl 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-oxazole-4-carboxylate
CID 106282826
4-ethoxycarbonyl-1H-pyrazole-5-carboxylic acid
CID 19599802

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxylate (CID 167977991) is methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1cn[nH]c1OCc1nc(C(=O)OC)co1.
What is the InChIKey of methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxylate?
The InChIKey is LGDVAMYHILCADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O6/c1-3-19-11(16)7-4-13-15-10(7)21-6-9-14-8(5-20-9)12(17)18-2/h4-5H,3,6H2,1-2H3,(H,13,15).
What are the key properties of methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxylate?
methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxylate has a molecular weight of 295.25 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 167977991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).