methyl 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylate

C10H11NO4 — CID 53323581

IUPACmethyl 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1(C)CC(c2ccoc2)=NO1
InChIInChI=1S/C10H11NO4/c1-10(9(12)13-2)5-8(11-15-10)7-3-4-14-6-7/h3-4,6H,5H2,1-2H3
InChIKeyREQRRBIUOFZICK-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.34
Rot. Bonds2

About methyl 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylate

methyl 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylate (PubChem CID 53323581) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylate
PubChem CID53323581
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1(C)CC(c2ccoc2)=NO1
InChIInChI=1S/C10H11NO4/c1-10(9(12)13-2)5-8(11-15-10)7-3-4-14-6-7/h3-4,6H,5H2,1-2H3
InChIKeyREQRRBIUOFZICK-UHFFFAOYSA-N
XLogP1.34
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylate (CID 53323581) is methyl 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylate is COC(=O)C1(C)CC(c2ccoc2)=NO1.
What is the InChIKey of methyl 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is REQRRBIUOFZICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-10(9(12)13-2)5-8(11-15-10)7-3-4-14-6-7/h3-4,6H,5H2,1-2H3.
What are the key properties of methyl 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylate?
methyl 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 209.20 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 53323581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).