dimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate

C11H9NO6 — CID 121005993

IUPACdimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate
SMILESCOC(=O)c1noc(C(=O)OC)c1-c1ccco1
InChIInChI=1S/C11H9NO6/c1-15-10(13)8-7(6-4-3-5-17-6)9(18-12-8)11(14)16-2/h3-5H,1-2H3
InChIKeyDVBUVCDEAPKGRP-UHFFFAOYSA-N
MW251.19 g/mol
LogP1.51
Rot. Bonds3

About dimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate

dimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate (PubChem CID 121005993) has the molecular formula C11H9NO6 and a molecular weight of 251.19 g/mol. Its IUPAC name is dimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate
PubChem CID121005993
Molecular FormulaC11H9NO6
Molecular Weight251.19 g/mol
Exact Mass251.04
IUPAC Namedimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate
SMILESCOC(=O)c1noc(C(=O)OC)c1-c1ccco1
InChIInChI=1S/C11H9NO6/c1-15-10(13)8-7(6-4-3-5-17-6)9(18-12-8)11(14)16-2/h3-5H,1-2H3
InChIKeyDVBUVCDEAPKGRP-UHFFFAOYSA-N
XLogP1.51
TPSA91.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-(furan-2-yl)-1,3-thiazole-4-carboxylate
CID 53271132
methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271156
methyl 4-(furan-2-yl)-3,5-dinitrobenzoate
CID 168528509
methyl 2,4-dichloro-3-(furan-2-yl)benzoate
CID 168526660
dimethyl 4-chloro-3-(furan-2-yl)-6-hydroxy-5-methylbenzene-1,2-dicarboxylate
CID 134839682
dimethyl 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylate
CID 102953727
methyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate
CID 102416721
methyl 2-(furan-2-yl)-5-methylbenzoate
CID 168524395
methyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
CID 30850547
methyl 2-chloro-5-(furan-2-yl)benzoate
CID 168524498
methyl 2-chloro-6-(furan-2-yl)benzoate
CID 168524975
methyl 3-amino-5-(azepan-1-yl)-6-(furan-2-yl)pyrazine-2-carboxylate
CID 142340106

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate (CID 121005993) is dimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate is COC(=O)c1noc(C(=O)OC)c1-c1ccco1.
What is the InChIKey of dimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate?
The InChIKey is DVBUVCDEAPKGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO6/c1-15-10(13)8-7(6-4-3-5-17-6)9(18-12-8)11(14)16-2/h3-5H,1-2H3.
What are the key properties of dimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate?
dimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate has a molecular weight of 251.19 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate is sourced from PubChem (CID 121005993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).